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MIC Scientific Ltd.

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Profile: MIC Scientific Ltd. offers fine chemicals such as heterocyclic & aromatic compounds, pyridines, pyrimidines, indoles and phenylboronic acids. Our phenylboronic acid compounds are 2-chlorophenylboronic acid, 2-acetylphenylboronic acid, 2-isopropylphenylboronic acid, 5-fluoro-2-methylbenzeneboronic acid and 2-methylphenylboronic acid. Our piperazine compounds are 1-(4-trifluoromethylphenyl)piperazine, N-t-butylpiperazine, 4-boc-3-methyl piperazine, (S)-4-N-boc-2-methylpiperazine and 4-N-boc-piperazine-2-carboxylic acid.

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• 1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-3-carboxamide | CAS Registry Number: 112794-29-3
Synonyms: BB_SC-3415, ALBB-005451, BAS 14747243, CID4962026, 1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid amide

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JFMNKDRNEZZRBW-UHFFFAOYSA-N

• 1-Piperazinecarboxylic acid, 3-butyl-, 1,1-dimethylethyl ester, (3S)-
IUPAC Name: tert-butyl (3S)-3-butylpiperazine-1-carboxylate | CAS Registry Number: 928025-60-9
Synonyms: (S)-1-Boc-3-butyl-piperazine, (S)-1-BOC-3-BUTYLPIPERAZINE, AG-H-79907, (S)-tert-butyl 3-butylpiperazine-1-carboxylate, SureCN10219111, CTK5H1717, MolPort-000-140-591, AKOS005258446, AKOS016013207, (S)-4-N-BOC-2-BUTYLPIPERAZINE, AK-39024, KB-63433, TL8005897, FT-0647750, A26033, B-1406

Molecular Formula: C13H26N2O2Molecular Weight: 242.357740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZNICOTLOPCODTO-NSHDSACASA-N

• 1-Piperazinecarboxylic acid, 3-butyl-, 1,1-dimethylethyl ester, (3R)-
IUPAC Name: tert-butyl (3R)-3-butylpiperazine-1-carboxylate | CAS Registry Number: 928025-59-6
Synonyms: (R)-1-Boc-3-butyl-piperazine, (R)-1-BOC-3-BUTYLPIPERAZINE, AG-H-79906, (R)-tert-butyl 3-butylpiperazine-1-carboxylate, SureCN10219108, CTK5H1716, MolPort-000-140-592, AKOS005258447, (R)-4-N-BOC-2-BUTYLPIPERAZINE, AK-29664, KB-63133, TL8005896, A26035

Molecular Formula: C13H26N2O2Molecular Weight: 242.357740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZNICOTLOPCODTO-LLVKDONJSA-N

• 2-Methyl-4-pyrimidinecarboxylic acid
IUPAC Name: 2-methylpyrimidine-4-carboxylic acid | CAS Registry Number: 13627-49-1
Synonyms: 2-Methylpyrimidine-4-carboxylic acid, 2-Methyl-4-pyrimidinecarboxylicacid, SBB065699, ACMC-1BSHP, AC1Q2OQN, SureCN1578942, CTK0H3776, MolPort-003-986-391, 2-Methyl-4-pyrimidinecarboxylicacid;, ANW-20023, WTI-11622, 2-Methyl-pyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 2-methyl-, AKOS000284298, AG-A-44581, HP21363, MCULE-3907223443, RP20422, AK-23648, BR-23648

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CDBDBWCUGHXFTN-UHFFFAOYSA-N

• 2-Methyl-4-(hydroxymethyl)pyridine
IUPAC Name: (2-methylpyridin-4-yl)methanol | CAS Registry Number: 105250-16-6
Synonyms: (2-methylpyridin-4-yl)methanol, 4-(Hydroxymethyl)-2-methylpyridine, SureCN203588, 4-(Hydroxymethyl)-2-picoline, (2-methyl-4-pyridinyl)methanol, 2-Methyl-4-hydroxymethylpyridine, CTK4A3689, MolPort-000-139-917, (2-methyl-pyridin-4-yl)-methanol, ANW-49106, ZINC30678253, AKOS006285222, AG-D-18497, MCULE-1215488548, OR40250, QC-2470, RP00707, AK-32751, BR-32751, KB-62104

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WCHFSXVRRCEWJL-UHFFFAOYSA-N

• 1,5-Dimethylnaphthalene
IUPAC Name: 1,5-dimethylnaphthalene | CAS Registry Number: 571-61-9
Synonyms: 1,5-DIMETHYLNAPHTHALENE, Naphthalene, 1,5-dimethyl-, 528145_ALDRICH, NSC59388, CHEBI:48608, 1,5-DMN, CID11306, EINECS 209-338-5, NSC 59388, Naphthalene, 1,5-dimethyl- (8CI)(9CI), InChI=1/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H

Molecular Formula: C12H12Molecular Weight: 156.223680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SDDBCEWUYXVGCQ-UHFFFAOYSA-N

• 4-Chlorobenzeneboronic Acid
IUPAC Name: (4-chlorophenyl)boronic acid | CAS Registry Number: 1679-18-1
Synonyms: p-Chlorophenylboronic acid, 4-Chlorophenylboronic acid, Boronic acid, p-chlorophenyl, p-Chlorobenzeneboronic acid, WLN: QBQR DG, Benzeneboronic acid, p-chloro-, (p-Chlorophenyl)metaboric acid, 4-Chlorobenzeneboronic acid, (4-chlorophenyl)boronic acid, Boronic acid, (4-chlorophenyl)-, 417548_ALDRICH, EINECS 216-845-5, NSC 25408, BM127, ALBB-006093, NSC25408, BRN 2936346, AI3-32764, AC 34441, LS-29167

Molecular Formula: C6H6BClO2Molecular Weight: 156.374640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CAYQIZIAYYNFCS-UHFFFAOYSA-N

• 1,2-Cyclohexanedione
IUPAC Name: cyclohexane-1,2-dione | CAS Registry Number: 765-87-7
Synonyms: 1,2-CYCLOHEXANEDIONE, 1,2-Dioxocyclohexane, 1,2-Cyclohexadione, Cyclohexane-1,2-dione, Cyclohexan-1,2-dione, CCRIS 6296, C101400_ALDRICH, CHEBI:41674, EINECS 212-155-3, NSC 32950, NSC627435, AIDS132768, AIDS-132768, CID13006, NSC32950, BRN 0507419, CPD0-1349, ZINC01530349, AI3-25042, 1,2-CYCLOHEXANEDIONE,KETONE FORM

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OILAIQUEIWYQPH-UHFFFAOYSA-N

• 2,5-Dihydroxy-1,4-dithiane
IUPAC Name: 1,4-dithiane-2,5-diol | CAS Registry Number: 40018-26-6
Synonyms: Dithian, 1,4-Dithiane-2,5-diol, p-Dithiane-2,5-diol, Mercaptoacetaldehyde dimer, 2,5-Dimethyl-1,4-dithiane, W382604_ALDRICH, 183954_ALDRICH, 10883_FLUKA, EINECS 254-751-6, NSC106280

Molecular Formula: C4H8O2S2Molecular Weight: 152.235120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YUIOPHXTILULQC-UHFFFAOYSA-N

• (R)-3-Hydroxypyrrolidine hydrochloride
IUPAC Name: (3R)-pyrrolidin-3-ol;hydrochloride | CAS Registry Number: 104706-47-0
Synonyms: (R)-(-)-3-Pyrrolidinol hydrochloride, (R)-3-Hydroxypyrrolidine HCl, (r)-pyrrolidin-3-ol hydrochloride, (R)-3-Pyrrolidinol hydrochloride, (3R)-pyrrolidin-3-ol hydrochloride, r-3-hydroxypyrrolidine-hcl, 3r-pyrrolidinol hydrochloride, (r)-(+)-3-pyrrolidinol hydrochloride, (3r)-3-hydroxypyrrolidine hydrochloride, (R)-(-)-3-Hydroxypyrrolidine Hydrochloride, PubChem7469, SureCN16919, AC1MC06G, AC1Q3DR5, KSC491E6J, 430722_ALDRICH, Jsp000461, CTK3J1264, MolPort-000-004-317, (r)-pyrrolidine-3-ol hydrochloride

Molecular Formula: C4H10ClNOMolecular Weight: 123.581300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: QPMSJEFZULFYTB-PGMHMLKASA-N

• 1,4-Dimethylnaphthalene
IUPAC Name: 1,4-dimethylnaphthalene | CAS Registry Number: 571-58-4
Synonyms: 1,4-DIMETHYLNAPHTHALENE, 1,4-Dimethylnapthalene, Naphthalene, 1,4-dimethyl-, D170305_ALDRICH, 37883_RIEDEL, NSC61779, CHEBI:48609, EINECS 209-335-9, 1,4-DMN, NSC 61779, EPA Pesticide Chemical Code 055802, CID11304, Naphthalene, 1,4-dimethyl- (8CI), NCGC00163993-01, LS-94559, Naphthalene, 1,4-dimethyl- (8CI)(9CI), C031969, InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H

Molecular Formula: C12H12Molecular Weight: 156.223680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: APQSQLNWAIULLK-UHFFFAOYSA-N

• 2-(S)-Hydroxy-3-Methylbutyric Acid Methyl Ester
IUPAC Name: methyl 2-hydroxy-3-methylbutanoate | CAS Registry Number: 21632-23-5
Synonyms: Methyl 2-hydroxy-3-methylbutanoate, Butyric acid, 2-hydroxy-3-methyl-, methyl ester, Butanoic acid, 2-hydroxy-3-methyl-, methyl ester, (S)-methyl 2-hydroxy-3-methylbutanoate, 17417-00-4, AC1Q5YVI, AC1LB795, AR-1J4786, Methyl-2-hydroxy-3-methyl butanoate, AKOS011496122, AG-K-70985, KB-202769, M111018

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YSGBMDFJWFIEDF-UHFFFAOYSA-N

• (S)-3-Isopropyl-2,5-piperazinedione
IUPAC Name: (3S)-3-propan-2-ylpiperazine-2,5-dione | CAS Registry Number: 16944-60-8
Synonyms: ZINC00162725, ST5306925

Molecular Formula: C7H12N2O2Molecular Weight: 156.182380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IULFBTHVPRNQCG-LURJTMIESA-N

• (S)-1-N-Boc-2-ethylpiperazine
IUPAC Name: tert-butyl (2S)-2-ethylpiperazine-1-carboxylate | CAS Registry Number: 325145-35-5
Synonyms: N1-Boc-2-ethylpiperazine, TL8002462, C-1137, (2S)-2-Ethyl-1-piperazinecarboxylic acid 1,1-dimethylethyl ester

Molecular Formula: C11H22N2O2Molecular Weight: 214.304580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CTCGRXDGXGUOTE-VIFPVBQESA-N

• 3,4-Methylenedioxyphenylacetic Acid
IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetic acid | CAS Registry Number: 2861-28-1
Synonyms: Homopiperonylic acid, 1,3-Benzodioxole-5-acetic acid, Oprea1_381545, 3,4-Methylenedioxyphenylacetic acid, 329673_ALDRICH, 1,3-Benzodioxol-5-ylacetic acid, Benzo-1,3-dioxole-5-acetic acid, CID76115, NSC14364, EINECS 220-679-9, SBB000212, 3,4-(Methylenedioxy)phenylacetic acid, AI3-19940, AP-065/41718246

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ODVLMCWNGKLROU-UHFFFAOYSA-N

• (S)-N-boc-3-Amino-Pyrrolidine
IUPAC Name: tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate | CAS Registry Number: 147081-44-5
Synonyms: (s)-1-boc-3-aminopyrrolidine, (S)-3-Amino-1-N-BOC-pyrrolidine, (S)-(-)-1-Boc-3-aminopyrrolidine, (S)-3-Amino-N-Boc-pyrrolidine, s-bocap, (S)-3-Amino-1-Boc-pyrrolidine, (s)-(-)-boc-3-aminopyrrolidine, (S)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine, (S)-1-N-Boc-3-Aminopyrrolidine, (s)-tert-butyl 3-aminopyrrolidine-1-carboxylate, tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate, (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine, (s)-(-)-n-boc-3-aminopyrrolidine, (s)-(-)-1-tboc-3-aminopyrrolidine, (3S)-(-)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine, AG-D-91847, (3S)-(-)-1-Boc-3-aminopyrrolidine, (s)-n-tert-butoxycarbonyl-3-aminopyrrolidine, ST50825256, (s)-3-amino-1-tert-butoxycarbonylpyrrolidine

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CMIBWIAICVBURI-ZETCQYMHSA-N

• 1,3-Dihydroxy methyl Benzene
IUPAC Name: [3-(hydroxymethyl)phenyl]methanol | CAS Registry Number: 626-18-6
Synonyms: 1,3-Benzenedimethanol, m-Xylene glycol, Ambap7421, m-Xylene-alpha,alpha'-diol, 196533_ALDRICH, EINECS 210-934-2, ZINC00406981, TL8004211

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YWMLORGQOFONNT-UHFFFAOYSA-N

• 1,3-Dimethyl-5-Pyrazolone
IUPAC Name: 2,5-dimethyl-4H-pyrazol-3-one | CAS Registry Number: 2749-59-9
Synonyms: NSC304, 1,3-Dimethyl-5-pyrazolone, 1,3-Dimethyl-5-pyrazolinone, 2-Pyrazolin-5-one, 1,3-dimethyl-, CID17673, EINECS 220-389-2, ZINC00162113, 3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-, 2,4-DIHYDRO-2,5-DIMETHYL-3H-PYRAZOL-3-ONE

Molecular Formula: C5H8N2OMolecular Weight: 112.129820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NDELSWXIAJLWOU-UHFFFAOYSA-N

• 5-Bromo-2-Methylpyrimidine-4-Carboxylic Acid Ethyl Ester
IUPAC Name: ethyl 5-bromo-2-methylpyrimidine-4-carboxylate | CAS Registry Number: 83410-38-2
Synonyms: ethyl 5-bromo-2-methylpyrimidine-4-carboxylate, 5-Bromo-2-methylpyrimidine-4-carboxylic acid ethyl ester, SureCN9423075, CTK8C0483, ANW-64746, AKOS016005323, AB66447, AK103490, EN002116, HC210428, KB-42161

Molecular Formula: C8H9BrN2O2Molecular Weight: 245.073260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JGNFJQXAJBLYED-UHFFFAOYSA-N

• 1 4-Difluorobenzene
IUPAC Name: 1,4-difluorobenzene | CAS Registry Number: 540-36-3
Synonyms: p-Difluorobenzene, Benzene, p-difluoro-, para-Difluorobenzene, 1,4-DIFLUOROBENZENE, Benzene, 1,4-difluoro-, 1,4-Difluorbenzol, 1,4-Difluoro-benzene, WLN: FR DF, D102202_ALDRICH, 442249_SUPELCO, 36910_FLUKA, CHEBI:38585, EINECS 208-742-9, NSC 10286, Benzene, 1,4-difluoro- (9CI), JRD-0119, NSC10286, ZINC00164664, LS-29836, SB 01462

Molecular Formula: C6H4F2Molecular Weight: 114.092766 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QUGUFLJIAFISSW-UHFFFAOYSA-N

• 1,3,5-Triphenylformazan
IUPAC Name: N'-(anilino)-N-phenyliminobenzenecarboximidamide | CAS Registry Number: 531-52-2
Synonyms: Triphenylformazan, TTC formazan, 93145_FLUKA, 1,3,5-Triphenyltetrazolium formazan, STK208996, ZINC05257320, 1,3,5-Triphenyl-tetrazolium formazane

Molecular Formula: C19H16N4Molecular Weight: 300.357140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BEIHVSJTPTXQGB-QUHCWSQZSA-N

• 1,3-Dimethyl-2-imidazolidinone
IUPAC Name: 1,3-dimethylimidazolidin-2-one | CAS Registry Number: 80-73-9
Synonyms: Karbomos TsEM, Rhonite 1, Dimethylethyleneurea, Dimethyl imidazolidinone, N,N'-Dimethylethyleneurea, DMEU, 1,3-Dimethylethyleneurea, N,N'-Dimethylimidazolidone, N,N'-Dimethylimidazolidinone, 1,3-Dimethylimidazolidin-2-one, 1,3-Dimethyl-2-imidazolidone, 2-IMIDAZOLIDINONE, 1,3-DIMETHYL-, 193453_ALDRICH, 40725_FLUKA, 40727_FLUKA, EINECS 201-304-8, CID6661, BRN 0108808, SBB008346, 2-IMIDAZOLIDONE,1,3-DIMETHYL

Molecular Formula: C5H10N2OMolecular Weight: 114.145700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CYSGHNMQYZDMIA-UHFFFAOYSA-N

• 1,7-Dihydroxy Naphthalene
IUPAC Name: naphthalene-1,7-diol | CAS Registry Number: 575-38-2
Synonyms: 1,7-Naphthalenediol, 1,7-Dihydroxynaphthalene, Naphthalene-1,7-diol, CCRIS 7895, 535486_ALDRICH, 37750_FLUKA, EINECS 209-383-0, NSC 62686, NSC62686, ZINC00388552, C.I. 76635, LS-94570

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZUVBIBLYOCVYJU-UHFFFAOYSA-N

• (3-Ethoxycarbonyl-2-oxoproply)triphenylphosphonium Chloride
IUPAC Name: (4-ethoxy-2,4-dioxobutyl)-triphenylphosphanium;chloride | CAS Registry Number: 106302-03-8
Synonyms: ST51038339, [3-(Ethoxycarbonyl)-2-oxopropyl]triphenylphosphonium chloride, ACMC-20apdu, AC1MCN8X, 424242_ALDRICH, CTK4A4473, AKOS015912052, AG-D-20630, FT-0642615, A801413, (4-ethoxy-2,4-dioxobutyl)triphenylphosphanium chloride, ethyl 3-oxo-4-(triphenylphosphino)butanoate, chloride, I14-35501, (4-ethoxy-2,4-dioxobutyl)-triphenylphosphanium chloride, (4-ethoxy-2,4-dioxobutyl)-triphenylphosphonium chloride, (3-Ethoxycarbonyl-2-oxopropyl)triphenylphosphonium chloride, Phosphonium,(4-ethoxy-2,4-dioxobutyl)triphenyl-, chloride (1:1), [4-ethoxy-2,4-bis(oxidanylidene)butyl]-triphenyl-phosphanium chloride, (3-Carboxyacetonyl)triphenylphosphoniumchloride, ethyl ester (7CI);Phosphonium, (4-ethoxy-2,4-dioxobutyl)triphenyl-,chloride (9CI);(3-Ethoxycarbonyl-2-oxopropyl)triphenylphosphonium chloride;[3-(Ethoxycarbonyl)-2-oxypropyl]triphenylphosphonium chloride;

Molecular Formula: C24H24ClO3PMolecular Weight: 426.872322 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BRRCLIKFZISBBV-UHFFFAOYSA-M

• (R)-N-Benzyl-3-AminoPyrrolidine
IUPAC Name: (3R)-1-(phenylmethyl)pyrrolidin-3-amine | CAS Registry Number: 114715-39-8
Synonyms: 1-Benzyl-3-aminopyrrolidine, 536601_ALDRICH, (R)-1-benzyl-3-Aminopyrrolidine, C-3151R, SL-02159, TL8000416, (R)-(−)-1-Benzyl-3-aminopyrrolidine

Molecular Formula: C11H16N2Molecular Weight: 176.258140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HBVNLKQGRZPGRP-LLVKDONJSA-N

• 1,2-Dihydroxy methyl Benzene
IUPAC Name: [2-(hydroxymethyl)phenyl]methanol | CAS Registry Number: 612-14-6
Synonyms: 1,2-Benzenedimethanol, Phthalyl alcohol, o-Xylene-alpha,alpha'-diol, 1,2-phenylenedimethanol, 2-Hydroxymethylbenzenemethanol, 1,2-Bis(hydroxymethyl)benzene, 184829_ALDRICH, 12570_FLUKA, CID69153, EINECS 210-293-9, NSC403013, ZINC03861341, NSC 403013, AI3-19549, InChI=1/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H, 6680-73-5

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XMUZQOKACOLCSS-UHFFFAOYSA-N

• 4-Chlorophenyl Cyclopropyl Ketone
IUPAC Name: (4-chlorophenyl)-cyclopropylmethanone | CAS Registry Number: 6640-25-1
Synonyms: 4-Chlorophenyl cyclopropyl ketone, C64207_ALDRICH, NSC49315, CID81148, EINECS 229-655-2, Methanone, (4-chlorophenyl)cyclopropyl-, ZINC00404331, ST5406265

Molecular Formula: C10H9ClOMolecular Weight: 180.630860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OPSFCTBBDIDFJM-UHFFFAOYSA-N

• 2-Methoxyphenylboronic Acid
IUPAC Name: (2-methoxyphenyl)boronic acid | CAS Registry Number: 5720-06-9
Synonyms: Ambap3798, 2-Methoxyphenylboronic acid, Phenylboronic Acid, 17, o-Methoxyphenylboronic acid, 2-Methoxybenzeneboronic acid, 445231_ALDRICH, BM299, TL8003682

Molecular Formula: C7H9BO3Molecular Weight: 151.955560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ROEQGIFOWRQYHD-UHFFFAOYSA-N

• 1,4-Di-tert-butylbenzene
IUPAC Name: 1,4-ditert-butylbenzene | CAS Registry Number: 1012-72-2
Synonyms: p-Di-tert-butylbenzene, Benzene, p-di-tert-butyl-, 1,4-ditert-butylbenzene, Benzene, 1,4-bis(1,1-dimethylethyl)-, Bis(1,1-dimethylethyl)benzene, 113352_ALDRICH, Benzene, bis(1,1-dimethylethyl)-, P-DI(TERT-BUTYL)BENZENE, NSC 6342, EINECS 213-790-9, NSC6342, Benzene, p-di-tert-butyl- (8CI), ZINC00968669, AI3-11248, LS-29141, ST5406194, AE-641/00770037, InChI=1/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H

Molecular Formula: C14H22Molecular Weight: 190.324480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OOWNNCMFKFBNOF-UHFFFAOYSA-N

• 1,1'-Biphenyl-3-carbaldehyde
IUPAC Name: 3-phenylbenzaldehyde | CAS Registry Number: 1204-60-0
Synonyms: 3-Phenylbenzaldehyde, 3-phenyl-benzaldehyde, 3-Biphenyl carboxaldehyde, 3-Difenilaldeide [Italian], CCRIS 3164, (1,1'-Biphenyl)-3-carboxaldehyde, 3PNL-0-0, BRN 2435839, ZINC02383275, 3-Biphenylcarboxaldehyde (6CI,7CI,8CI), LS-44220, ST5211902, TL8000540, 4-07-00-01388 (Beilstein Handbook Reference)

Molecular Formula: C13H10OMolecular Weight: 182.217900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KFKSIUOALVIACE-UHFFFAOYSA-N

• ( S)-3-Amino-3-(2-thienyl)-propionic acid
IUPAC Name: (3S)-3-amino-3-thiophen-2-ylpropanoic acid | CAS Registry Number: 131829-50-0
Synonyms: (S)-3-Amino-3-(thiophen-2-yl)propanoic acid, (S)-3-amino-3-(2-thienyl)-propanoic acid, (S)-3-Amino-3-(2-thienyl)-propionic acid, 2-Thiophenepropanoicacid, b-amino-, (bS)-, AC1L3C5H, SureCN2481473, CTK4B7547, MolPort-003-794-806, ANW-73499, AKOS010394311, AB17799, AG-D-64626, H-D-GLY(2-THIENYL)-(C*CH2)OH, AK-57716, KB-05318, S-3-Amino-3-(2-thienyl)-propionic acid, BETA-(2-THIENYL)-D-BETA-HOMOGLYCINE, TL80073932, (3S)-3-amino-3-thiophen-2-ylpropanoic acid, (3S)-3-AMINO-3-(2-THIENYL)PROPANOIC ACID

Molecular Formula: C7H9NO2SMolecular Weight: 171.216860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GYAYLYLPTPXESE-YFKPBYRVSA-N

• (3-Fluoro-4-benzyloxyphenyl)boronic acid
IUPAC Name: [3-fluoro-4-(phenylmethoxy)phenyl]boronic acid | CAS Registry Number: 133057-83-7
Synonyms: BM442, 4-Benzyloxy-3-fluorophenylboronic acid, ST5408371, TL8000786, 3-fluoro-4-((phenylmethyl)oxy)phenylboronic acid, AG-690/12763270

Molecular Formula: C13H12BFO3Molecular Weight: 246.041983 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DQPDLDQJMUGVGI-UHFFFAOYSA-N

• (4-Phthalimidomethylphenyl)boronic acid, pinacol ester
IUPAC Name: 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione | CAS Registry Number: 138500-87-5
Synonyms: ALBB-009359, P5052G1, (4-Phthalimidomethylphenyl)boronic acid pinacol ester, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]-1H-isoindole-1,3(2H)-dione

Molecular Formula: C21H22BNO4Molecular Weight: 363.214680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZLSIUDAKDAXZRV-UHFFFAOYSA-N

• (Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid
IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic acid | CAS Registry Number: 86978-24-7
Synonyms: CTK5F7479, ANW-53638, AG-H-50648, A841894, 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic acid, 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-2-pentenoic acid, 4-Thiazoleacetic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-a-propylidene-, (aZ)-, 4-Thiazoleaceticacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-a-propylidene-, (Z)-;

Molecular Formula: C13H18N2O4SMolecular Weight: 298.358020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XIXNSLABECPEMI-UHFFFAOYSA-N

• 3-Fluoro-5-Methylphenylboronic Acid
IUPAC Name: (3-fluoro-5-methylphenyl)boronic acid | CAS Registry Number: 850593-06-5
Synonyms: 3-FLUORO-5-METHYLPHENYLBORONIC ACID, (3-Fluoro-5-Methylphenyl)Boronic Acid, 3-Fluoro-5-methylbenzeneboronic acid, SBB071250, AG-H-41352, AC1Q2IQR, 3-Borono-5-fluorotoluene, ACMC-209q3i, SureCN248795, CTK5F4014, MolPort-001-772-751, ACT02207, 5-Fluoro-3-methylphenylboronic acid, 5-FLUORO-M-TOLYLBORONIC ACID, ANW-38092, 3-Fluoro-5-methylphenylboronic acid,, 3-Fluoro-5-methylbenzene boronic acid, AKOS000285076, AB30765, RL05258

Molecular Formula: C7H8BFO2Molecular Weight: 153.946623 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QQPLHUGOUZKARP-UHFFFAOYSA-N

• (R)(+) Alpha Methylbenzyl Amine
IUPAC Name: (1R)-1-phenylethanamine | CAS Registry Number: 3886-69-9
Synonyms: 1-Phenylethanamine, D-alpha-Methylbenzylamine, (1R)-1-phenylethanamine, (R)-()-1-Phenylethylamine, 115541_ALDRICH, (R)-()-alpha-Methylbenzylamine, 77879_FLUKA, 77880_FLUKA, CHEBI:35322, Benzenemethanamine, alpha-methyl-, (R)-alpha-Methylbenzenemethanamine, (alphaR)-alpha-methylbenzenemethanamine, SL-00443, InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H, 98-84-0

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N

• 1-(1-Naphthyl)Ethylamine
IUPAC Name: 1-naphthalen-1-ylethanamine | CAS Registry Number: 42882-31-5
Synonyms: 1-(1-Naphthyl)ethylamine, ()-1-(1-Naphthyl)ethylamine, 294926_ALDRICH, 70715_FLUKA, (+/-)1-(1-Naphthyl)ethylamine, NSC75881, NSC75882, R-(+)-1-(1-Naphthyl)ethylamine, EINECS 223-425-5, NSC 75881, NSC180601, (S)-(-)-.alpha.-(1-Naphthyl)ethylamine, GL-0344, NSC 180601, 1-Naphthalenemethanamine, alpha-methyl-, ()-alpha-Methyl-1-naphthalenemethylamine, (R)-alpha-Methyl-1-naphthalenemethanamine, AI3-26857, ST5209067, TL8003035

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RTCUCQWIICFPOD-UHFFFAOYSA-N

• 1,1-Cyclohexanediacetic Acid
IUPAC Name: 2-[1-(carboxymethyl)cyclohexyl]acetic acid | CAS Registry Number: 4355-11-7
Synonyms: 1,1-Cyclohexanediacetic acid, Cyclohexanediacetic acid, 1,1-Cyclohexane diacetic acid, Oprea1_388207, 171344_ALDRICH, CID78061, NSC39839, EINECS 224-427-9, NSC169443, [1-(carboxymethyl)cyclohexyl]acetic acid, AN-829/41297703, T5641089, 9355-11-7

Molecular Formula: C10H16O4Molecular Weight: 200.231640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YQPCHPBGAALCRT-UHFFFAOYSA-N

• 1,3,5-Trimethoxybenzene
IUPAC Name: 1,3,5-trimethoxybenzene | CAS Registry Number: 621-23-8
Synonyms: sym-Trimethoxybenzene, Phloroglucinol trimethyl ether, Benzene, 1,3,5-trimethoxy-, 1,3,5-Trimethyoxybenzene, Spectrum_001404, Spectrum2_000426, Spectrum3_001030, Spectrum4_001163, Spectrum5_001766, NCIOpen2_001419, BSPBio_002819, KBioGR_001765, KBioSS_001884, SPECTRUM231043, SPBio_000412, 138827_ALDRICH, O,O,O-1,3,5-Trimethylresorcinol, EINECS 210-673-4, KBio2_001884, KBio2_004452

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LKUDPHPHKOZXCD-UHFFFAOYSA-N

• 1:8-Naphtho Sultone
Synonyms: Naphthosultone, 1,8-Naphthosultone, Naphthalene-1,8-sultone, 316539_ALDRICH, 1-Naphthol-8-sulfonic acid sultone, NSC26341, 70615_FLUKA, AIDS124382, AIDS-124382, CID65744, EINECS 201-468-0, NSC 26341, 8-Hydroxynaphthalene-1-sulfonic acid sultone, Naphth(1,8-cd)-1,2-oxathiole, 2,2-dioxide, Naphth[1,8-cd]-1,2-oxathiole, 2,2-dioxide, Naphtho[1,8-cd][1,2]oxathiole 2,2-dioxide, {Naphth[1,8-cd]-1,2-oxathiole,} 2,2-dioxide, 1-Naphthalenesulfonic acid, 8-hydroxy-, .gamma.-sultone

Molecular Formula: C10H6O3SMolecular Weight: 206.217840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IEIADDVJUYQKAZ-UHFFFAOYSA-N

• 1-8-Octanediol
IUPAC Name: octane-1,8-diol | CAS Registry Number: 629-41-4
Synonyms: 1,8-Octanediol, Octamethylene glycol, Octane-1,8-diol, Octan-1,8-diol, O3303_ALDRICH, 74840_FLUKA, CHEBI:44630, AIDS017557, AIDS-017557, CID69420, NSC81228, EINECS 211-090-8, ZINC01574321, TL8004325, C14218, O-1000, ODI

Molecular Formula: C8H18O2Molecular Weight: 146.227320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OEIJHBUUFURJLI-UHFFFAOYSA-N

• (R)-4-Benzyl-3-chloroacetyl-2-oxazolidinone
IUPAC Name: (4R)-4-benzyl-3-(2-chloroacetyl)-1,3-oxazolidin-2-one | CAS Registry Number: 184714-56-5
Synonyms: (R)-4-Benzyl-3-(2-chloroacetyl)oxazolidin-2-one, (N-Chloroacetyl)-(4R)-benzyl-2-oxazolidinone, 534951_ALDRICH, CTK0H3815, MolPort-003-936-122, ANW-57435, AKOS015911877, AG-E-34157, AK-87113, KB-210186, FT-0602173, I14-37427, (4R)-4-Benzyl-3-(chloroacetyl)-1,3-oxazolidin-2-one;

Molecular Formula: C12H12ClNO3Molecular Weight: 253.681580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DVPUBLCBQBQPOU-SNVBAGLBSA-N

• 4-methylpyrimidine-5-carboxylic acid
IUPAC Name: 4-methylpyrimidine-5-carboxylic acid | CAS Registry Number: 157335-92-7
Synonyms: 4-Methyl-5-pyrimidinecarboxylic acid, EC-000.1402, ST5393026

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MGRYVXAAUYHOSI-UHFFFAOYSA-N

• 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride
IUPAC Name: 2,5-dimethylpyrazole-3-carbonyl chloride | CAS Registry Number: 55458-67-8
Synonyms: ZINC02570668, SBB005476, CID2736299, H09023

Molecular Formula: C6H7ClN2OMolecular Weight: 158.585580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZIAPGUFDEJWQHC-UHFFFAOYSA-N

• 1-Piperazinecarboxylic acid, 3-ethyl-, 1,1-dimethylethyl ester, (3S)-
IUPAC Name: tert-butyl (3S)-3-ethylpiperazine-1-carboxylate | CAS Registry Number: 928025-56-3
Synonyms: (S)-tert-butyl 3-ethylpiperazine-1-carboxylate, (S)-1-Boc-3-ethyl-piperazine, (S)-1-Boc-3-Ethylpiperazine, (S)-1-N-Boc-3-ethylpiperazine, AG-H-79903, (S)-3-ETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl (3S)-3-ethylpiperazine-1-carboxylate, SureCN18683, CTK5H1713, MolPort-000-140-579, AKOS005258591, AB42224, RP04923, (S)-4-BOC-2-ETHYL-PIPERAZINE, (3S)-1-BOC-3-ETHYL-PIPERAZINE, AK-29608, KB-63434, S-11, TL8005893, FT-0084001

Molecular Formula: C11H22N2O2Molecular Weight: 214.304580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DXJOJUNLMJMJSN-VIFPVBQESA-N

• 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
IUPAC Name: 1,3-dimethyl-1,3-diazinan-2-one | CAS Registry Number: 7226-23-5
Synonyms: Dimethylpropyleneurea, DMPU, N,N'-Dimethyltrimethyleneurea, CCRIS 4322, N,N'-Dimethylpropylene urea, 251569_ALDRICH, 41661_FLUKA, EINECS 230-625-6, BRN 0110562, ZINC00157131, 1,3-Dimethyl-2-oxohexahydropyrimidine, Tetrahydro-1,3-dimethyl-2(1H)pyrimidine, 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-, Tetrahydro-1,3-dimethyl-1H-pyrimidin-2-one, 1,3-Dimethyltetrahydro-2(1H)-pyrimidinone, 1,3-dimethyltetrahydropyrimidin-2(1H)-one, LS-136022, 2-PYRIMIDONE,TETRAHYDRO,1,3-DIMETHYL, 5-24-01-00197 (Beilstein Handbook Reference), InChI=1/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GUVUOGQBMYCBQP-UHFFFAOYSA-N

• 6-Bromo-Benzo[b]thiophene
IUPAC Name: 6-bromo-1-benzothiophene | CAS Registry Number: 17347-32-9
Synonyms: 6-Bromobenzo[b]thiophene, 6-BROMOBENZOTHIOPHENE, 6-Bromo-benzo[b]thiophene, 6-bromo-1-benzothiophene, AG-E-23013, SureCN405354, 6-bromanyl-1-benzothiophene, CTK3J7193, MolPort-000-150-474, ANW-41232, BENZO[B]THIOPHENE, 6-BROMO-, GEO-00391, ZINC15042995, AKOS005256444, HT21445, MB09702, QC-5969, RP26740, AK-27128, BR-27128

Molecular Formula: C8H5BrSMolecular Weight: 213.094300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OQIMJOXSDVGEBU-UHFFFAOYSA-N

• (+)-5,6-O-Isopropylidene-L-Ascorbic Acid
IUPAC Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dihydroxyfuran-3-one | CAS Registry Number: 15042-01-0
Synonyms: Spectrum_001994, Oprea1_442749, KBioSS_002564, KBio2_002555, KBio2_005123, KBio2_007691, CHEBI:170519, NSC252042, CID318020, 11F-002, AC-907/34127031, A1395/0062396, 5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-3,4-dihydroxy-5H-furan-2-one, 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2(5H)-furanone

Molecular Formula: C9H12O6Molecular Weight: 216.187980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KLQRPFQLSOJOQI-UHFFFAOYSA-N

• 1,1-Diphenylhydrazine
IUPAC Name: 1,1-diphenylhydrazine | CAS Registry Number: 530-50-7
Synonyms: Hydrozobenzene, N,N-Diphenylhydrazine, Hydrazine, 1,1-diphenyl-, Hydrazine, 1,1-diphenyl, 1,1-DIPHENYLHYDRAZINE, alpha,alpha-Diphenylhydrazine, CCRIS 4562, HSDB 2916, .alpha.,.alpha.-Diphenylhydrazine, 530-47-2 (hydrochloride), NCI-C01854, EINECS 208-483-1, BB_SC-0087, 530-47-2 (mono-hydrochloride), CID10739, BRN 0957349, ZINC00388098, AI3-23023, LS-76776, TL8000604

Molecular Formula: C12H12N2Molecular Weight: 184.237080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YHYKLKNNBYLTQY-UHFFFAOYSA-N

• (3s,4r)-(-)-4-(4'-Fluorophenyl)3-Hydroxymethyl)-Piperidine
IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol | CAS Registry Number: 125224-43-3
Synonyms: ((3S,4R)-4-(4-fluorophenyl)piperidin-3-yl)methanol, [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol, Racemic-[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol, (3S,4R)-(-)-(4-(4'-FLUOROPHENYL)3-HYDROXYMETHYL)-PIPERIDINE, (3S,4R)-[4-(4-Fluoro-phenyl)-piperidin-3-yl]-methanol, PubChem23483, trans-4-(4'-Fluorophenyl)3-hydroxymethyl)-piperidine, N-DESMETHYL PAROXOL, AC1Q77QW, SureCN4428153, PAROXETINE IMPURITY I, CTK7J7209, N-Desmethyl Paroxol Hydrochloride, MolPort-002-499-694, ACT02074, ANW-47972, SBB062844, AKOS015919686, AB16312, AG-A-04248

Molecular Formula: C12H16FNOMolecular Weight: 209.259943 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IBOPBHBOBJYXTD-JQWIXIFHSA-N


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