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Ubichem plc

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Profile: Ubichem Plc specializes in supplying fine chemicals for pharmaceutical industries. Our products include 4-chlorothieno(3,2-c)pyridine, 4-bromothieno(3,2-c)pyridine, 4-(1-piperazinyl)thieno(3,2-c)pyridine, 7-bromo-4-hydrazinothieno(3,2-c)pyridine and 1-amino-4-bromo isoquinoline. We also offer heterocyclic boronic acids, chelates, phenyl boronic acids, borate esters and amino acids.

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• Homoveratronitrile
IUPAC Name: 2-(3,4-dimethoxyphenyl)acetonitrile | CAS Registry Number: 93-17-4
Synonyms: Veratryl cyanide, VERATRYLCYANIDE, 3,4-Dimethylbenzyl cyanide, 3,4-Dimethoxybenzyl cyanide, 3,4-Dimethoxyphenylacetonitrile, (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide, Benzeneacetonitrile, 3,4-dimethoxy-, Oprea1_832287, 3,4-Dimethoxybenzeneacetonitrile, WLN: NC1R CO1 DO1, 126349_ALDRICH, IFLab1_000888, Acetonitrile, (3,4-dimethoxyphenyl)-, Acetonitrile, 3,4-(dimethoxyphenyl)-, Acetonitrile, 3,4-dimethoxyphenyl-, NSC 6324, EINECS 202-225-1, NSC6324, 3,4-(Dimethoxyphenyl)acetonitrile

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ASLSUMISAQDOOB-UHFFFAOYSA-N

• Indole
IUPAC Name: 1H-indole | CAS Registry Number: 120-72-9
Synonyms: indole, 1H-Indole, Ketole, Indol, 2,3-Benzopyrrole, Benzopyrrole, 1-Azaindene, 1-Benzazole, 2,3-Benzopyrole, Indole (natural), Indol [German], Benzo[b]pyrrole, 1-Benzo(b)pyrrole, Caswell No. 498B, indole hydrochloride, 1H-Benzo[b]pyrrole, Indole (8CI), indole, 14C-labeled, 1H-Indole (9CI), FEMA No. 2593

Molecular Formula: C8H7NMolecular Weight: 117.147880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N

• Isoamyl Bromide
IUPAC Name: 1-bromo-3-methylbutane | CAS Registry Number: 107-82-4
Synonyms: Isoamyl bromide, Isopentyl bromide, 3-Methylbutyl bromide, Isobutylmethyl bromide, 4-Bromo-2-methylbutane, Butane, 1-bromo-3-methyl-, 1-BROMO-3-METHYLBUTANE, 124095_ALDRICH, NSC 9240, EINECS 203-522-9, HSDB 7381, CID7891, NSC9240, UN2341, LS-45625, 1-Bromo-3-methylbutane [UN2341] [Flammable liquid], 1-Bromo-3-methylbutane [UN2341] [Flammable liquid], InChI=1/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H

Molecular Formula: C5H11BrMolecular Weight: 151.044840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YXZFFTJAHVMMLF-UHFFFAOYSA-N

• Isoquinoline-1-Carboxylic Acid
IUPAC Name: isoquinoline-1-carboxylic acid | CAS Registry Number: 486-73-7
Synonyms: 1-Isoquinolinecarboxylic acid, Isoquinoline-1-carboxylic acid, 150134_ALDRICH, 58752_FLUKA, ALBB-005987, EINECS 207-639-6, NSC218351, AI3-61946, ST5308467

Molecular Formula: C10H7NO2Molecular Weight: 173.168080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XAAKCCMYRKZRAK-UHFFFAOYSA-N

• L-Alaninol
IUPAC Name: (2S)-2-aminopropan-1-ol | CAS Registry Number: 2749-11-3
Synonyms: A76206_ALDRICH, S-()-2-Amino-1-propanol, L-2-AMINO-1-PROPANOL, (S)-()-2-Amino-1-propanol, 05230_FLUKA, ST5340222, A-4550

Molecular Formula: C3H9NOMolecular Weight: 75.109660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BKMMTJMQCTUHRP-VKHMYHEASA-N

• L-Pipecolic acid
IUPAC Name: piperidine-2-carboxylic acid | CAS Registry Number: 3105-95-1
Synonyms: Pipecolic acid, Homoproline, Pipecolinic acid, pipecolate, Dihydrobaikiane, l-Pipecolic acid, L-pipecolate, Piperolinic acid, homopipecolic acid, Hexahydropicolinic acid, Pipecolic acid, L-, L-Pipecolinic acid, 2-PIPERIDINECARBOXYLIC ACID, DL-Pipecolinic acid, .alpha.-Pipecolinic acid, Acide pipecolique [French], Pipecolic acid free base, Pipecolic acid, L-(-)-, Pipecolic acid, (S)-(-)-, pipecolic acid, ion (1-)

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HXEACLLIILLPRG-UHFFFAOYSA-N

• L-Tartaric Acid Diethyl Ester
IUPAC Name: diethyl (2R,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 87-91-2
Synonyms: DIETHYL-D-TARTRATE, Diethyl 2,3-dihydroxysuccinate, ZINC01648297, Butanedioic acid, 2,3-dihydroxy-, diethyl ester, 13811-71-7, InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H

Molecular Formula: C8H14O6Molecular Weight: 206.193160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YSAVZVORKRDODB-OLQVQODUSA-N

• L-Valinol
IUPAC Name: 2-amino-3-methylbutan-1-ol | CAS Registry Number: 2026-48-4
Synonyms: Valinol, DL-Valinol, 2-Amino-3-methyl-1-butanol, 1-Butanol, 2-amino-3-methyl-,, 184837_ALDRICH, L-2-Amino-3-methylbutan-1-ol, 1-Butanol, 2-amino-3-methyl-, (1)-2-Amino-3-methylbutan-1-ol, EINECS 217-975-5, EINECS 240-425-0, NSC322922, (S)-(+)-2-Amino-3-methyl-1-butanol, (R)-(-)-2-Amino-3-methyl-1-butanol, 1-Butanol, 2-amino-3-methyl-, (R)-, 1-Butanol, 2-amino-3-methyl-, (.+/-.)-, 16369-05-4, 473-75-6

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NWYYWIJOWOLJNR-UHFFFAOYSA-N

• Lutidine,2,3
IUPAC Name: 2,3-dimethylpyridine | CAS Registry Number: 583-61-9
Synonyms: 2,3-Lutidine, Pyridine, 2,3-dimethyl-, 2,3-DIMETHYLPYRIDINE, DIMETHYLPYRIDINE, 2,3-Lutidine (8CI), L3501_ALDRICH, NSC2157, NSC 2157, EINECS 209-514-1, EINECS 248-287-3, AI3-24280, InChI=1/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H, 27175-64-0

Molecular Formula: C7H9NMolecular Weight: 107.153060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HPYNZHMRTTWQTB-UHFFFAOYSA-N

• lutidinic acid
IUPAC Name: pyridine-2,4-dicarboxylic acid | CAS Registry Number: 499-80-9
Synonyms: Lutidinic acid, 2,4-Lutidinic acid, pyridine carboxylate, 6a, 2,4-PYRIDINEDICARBOXYLIC ACID, MLS000078055, Pyridine-2,4-dicarboxylic acid, CHEBI:44737, AIDS020406, AIDS-020406, CID10365, EINECS 207-892-2, NSC403248, NSC 403248, NCGC00020450-01, SMR000036938, ST5307919, InChI=1/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12, PD2

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MJIVRKPEXXHNJT-UHFFFAOYSA-N

• M 12325
IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acid | CAS Registry Number: 2736-23-4
Synonyms: LeadQuest Compound 9, 2,4-Dichloro-5-sulfamoylbenzoic acid, Oprea1_168593, Oprea1_483230, 147397_ALDRICH, EINECS 220-358-3, ZERO/002615, 3-Sulfamoyl-4,6-dichlorobenzoic acid, 2,4-Dichloro-5-sulphamoylbenzoic acid, BRN 2219046, 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid, 5-Aminosulfonyl-2,4-dichlorobenzoic acid, 5-Carboxy-2,4-dichlorobenzenesulfonamide, FR-0558, Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-, LS-36908, TL8002204, BENZOIC ACID, 2,4-DICHLORO-5-SULFAMOYL-, 83162-87-2, InChI=1/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14

Molecular Formula: C7H5Cl2NO4SMolecular Weight: 270.089900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N

• M-Bromonitrobenzene
IUPAC Name: 1-bromo-3-nitrobenzene | CAS Registry Number: 585-79-5
Synonyms: M-BROMONITROBENZENE, m-Nitrobromobenzene, 1-Bromo-3-nitrobenzene, 3-Bromonitrobenzene, 3-Nitrobromobenzene, Benzene, 1-bromo-3-nitro-, BROMONITROBENZENE, CCRIS 3114, ghl.PD_Mitscher_leg0.921, NSC 7084, 17700_FLUKA, EINECS 209-563-9, NSC7084, UN2732, STK286023, ZINC01566594, AI3-09054, FS003020, LS-29209, ST5406626

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FWIROFMBWVMWLB-UHFFFAOYSA-N

• Methyl (4-Bromophenyl)acetate
IUPAC Name: methyl 2-(4-bromophenyl)acetate | CAS Registry Number: 41841-16-1
Synonyms: NSC245163, CID316783, ZINC01765842, BBV-24868697, I01-4003

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QHJOWSXZDCTNQX-UHFFFAOYSA-N

• Methyl (Z)-N-(4-Bromophenylvinyl)Carbamate
IUPAC Name: methyl N-[2-(4-bromophenyl)ethenyl]carbamate | CAS Registry Number: 135879-71-9
Synonyms: METHYL (Z)-N-(4-BROMOPHENYLVINYL)CARBAMATE, CTK4C0048, CTK8G8624, AG-D-73315

Molecular Formula: C10H10BrNO2Molecular Weight: 256.095900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZKHGFBUBAGLGRY-UHFFFAOYSA-N

• Methyl 2,5-dihydro-2,5-dimethoxy-2-furancarboxylate
IUPAC Name: methyl 2,5-dimethoxy-2H-furan-5-carboxylate | CAS Registry Number: 62435-72-7
Synonyms: 119180_ALDRICH, EINECS 263-540-8, ZINC03860955, CID2723832, ST5308002, Methyl 2,5-dihydro-2,5-dimethoxyfuran-2-carboxylate, Methyl 2,5-dihydro-2,5-dimethoxy-2-furancarboxylate, mixture of cis and trans

Molecular Formula: C8H12O5Molecular Weight: 188.177880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: GHVXSSBZJZUDSO-UHFFFAOYSA-N

• Myristyl Bromide
IUPAC Name: 1-bromotetradecane | CAS Registry Number: 112-71-0
Synonyms: Myristyl bromide, 1-Bromotetradecane, Tetradecyl bromide, Tetradecane, 1-bromo-, n-Tetradecyl bromide, 1-Tetradecyl bromide, n-Tetradecyl-1-bromide, 1-BROMO-N-TETRADECANE, 195332_ALDRICH, 18390_FLUKA, CID8208, NSC83468, EINECS 203-999-3, NSC 83468

Molecular Formula: C14H29BrMolecular Weight: 277.284060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KOFZTCSTGIWCQG-UHFFFAOYSA-N

• N,N'-Di-N-Propylthiourea
IUPAC Name: 1,3-dipropylthiourea | CAS Registry Number: 26536-60-7
Synonyms: NN'-Dipropylthiourea, 1,3-Dipropyl-2-thiourea, Thiourea, N,N'-dipropyl-, N,N'-di-n-Propyl thiourea, AIDS018885, Urea, 1,3-dipropyl-2-thio-, AIDS-018885, ZINC06380223, CID2801214, FR-0566, BBV-21710537

Molecular Formula: C7H16N2SMolecular Weight: 160.280340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: AUXGIIVHLRLBSG-UHFFFAOYSA-N

• N,N'-Di-Sec-Butylcarbodiimide
IUPAC Name: N,N'-di(butan-2-yl)methanediimine | CAS Registry Number: 66006-67-5
Synonyms: N,N'-Di-sec-butylcarbodiimide, SBB056422, CTK5C3361, MolPort-001-770-795, Carbodiimide,di-sec-butyl- (6CI), AG-G-48488, 3,7-dimethyl-4,6-diazanona-4,5-diene, sec-butyl[(sec-butylimino)methylidene]amine, FT-0606725, 2-Butanamine,N,N'-methanetetraylbis- (9CI)

Molecular Formula: C9H18N2Molecular Weight: 154.252620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GULJGLVMSVZIPC-UHFFFAOYSA-N

• N,N'-Di-Tert-Butylcarbodiimide
IUPAC Name: N,N'-ditert-butylmethanediimine | CAS Registry Number: 691-24-7
Synonyms: Di-tert-butylcarbodiimide, N,N'-di-tert-Butylcarbodiimide, N,N'-ditert-butylcarbodiimide, 235563_ALDRICH, 34640_FLUKA, EINECS 211-719-6, CID69650, ZINC13493742, 2-Propanamine, N,N'-methanetetraylbis[2-methyl-

Molecular Formula: C9H18N2Molecular Weight: 154.252620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IDVWLLCLTVBSCS-UHFFFAOYSA-N

• N,n'-diethylpiperazine
IUPAC Name: 1,4-diethylpiperazine | CAS Registry Number: 6483-50-7
Synonyms: 1,4-Diethylpiperazine, Piperazine, 1,4-diethyl-, EINECS 229-341-5, SBB008748

Molecular Formula: C8H18N2Molecular Weight: 142.241920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DDPRYTUJYNYJKV-UHFFFAOYSA-N

• N,N'-Dimethyl Piperazine
IUPAC Name: 1,4-dimethylpiperazine | CAS Registry Number: 106-58-1
Synonyms: Lupetazine, 1,4-Dimethylpiperazine, Texacat DMP, N,N'-dimethylpiperazine, Ambap7400, PIPERAZINE, 1,4-DIMETHYL-, CCRIS 6690, Trans-1,4-Dimethylpiperazine, D179302_ALDRICH, EINECS 203-412-0, CID7818, NSC 41177, NSC41177, LS-111806, TL8000238, InChI=1/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RXYPXQSKLGGKOL-UHFFFAOYSA-N

• N-(2,2-Diethoxyethyl)Piperidine
IUPAC Name: 1-(2,2-diethoxyethyl)piperidine | CAS Registry Number: 3616-58-8
Synonyms: Piperidinoacetal, 1-(2,2-Diethoxyethyl)piperidine, Oprea1_220932, P46202_ALDRICH, N-(2,2-Diethoxyethyl)piperidine, NSC66158, EINECS 222-802-1, TOS-BB-0913, NSC 66158, CID77165, 1-Piperidineacetaldehyde, diethyl acetal, BRN 0109383, Piperidine, 1-(2,2-diethoxyethyl)-, 1-Piperidineacetaldehyde diethyl acetal, LS-113878, Piperidine, 1-(2,2-diethoxyethyl)- (9CI), 4-20-00-00865 (Beilstein Handbook Reference)

Molecular Formula: C11H23NO2Molecular Weight: 201.305820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VSHHRRNJQBETGT-UHFFFAOYSA-N

• N-(2-Amino Ethyl)pyrrolidine
IUPAC Name: 2-pyrrolidin-1-ylethanamine | CAS Registry Number: 7154-73-6
Synonyms: Pyrrolidinoethylamine, 1-Pyrrolidineethanamine, Pyrrolidinoethanamine, 2-Pyrrolidinoethyl amine, 2-Pyrrolidinoethylamine, N-(2-Aminoethyl)pyrrolidine, 1-(2-Aminoethyl)pyrrolidine, 2-pyrrolidin-1-ylethanamine, 2-(1-Pyrrolidinyl)ethylamine, A55357_ALDRICH, 2-(1-Pyrrolidinyl)ethanamine, Pyrrolidine, 1-(2-aminoethyl)-, 2-(pyrrolidin-1-yl)ethanamine, 2-pyrrolidin-1-yl-ethyl-amine, NSC73740, CID1344, ALBB-006258, EINECS 230-509-5, NSC 73740, SBB004304

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WRXNJTBODVGDRY-UHFFFAOYSA-N

• N-Acetylphenylhydrazine
IUPAC Name: N'-phenylacetohydrazide | CAS Registry Number: 114-83-0
Synonyms: Hydracetin, Pyrodine, Pyrodin, Acetylphenylhydrazine, 1-Acetyl-2-phenylhydrazine, N'-Phenylacethydrazide, N'-Phenylacetohydrazide, 2'-Phenylacetohydrazide, Acetic acid phenylhydrazone, 2-Phenylacetohydrazide, 1-Phenyl-2-acetylhydrazine, N-Acetylphenylhydrazide, .beta.-Acetylphenylhydrazine, N-Acetyl-N'-phenylhydrazine, Ambap4650, N'-phenylacethydraz ide, N(1)-Acetylphenylhydrazine, 2-Acetyl-1-phenylhydrazine, beta-Acetylphenylhydrazine, Acetic acid, 2-phenylhydrazide

Molecular Formula: C8H10N2OMolecular Weight: 150.177800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UICBCXONCUFSOI-UHFFFAOYSA-N

• N-Boc-Methyl-2-(dimethylphosphono) glycinate
IUPAC Name: methyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate | CAS Registry Number: 89524-98-1
Synonyms: 09659_FLUKA, NSC705124, ()-Trimethyl-Boc-alpha-phosphonoglycinate, NCI60_037535, N-Boc-alpha-phosphonoglycine trimethyl ester, UX00003847, ()-Boc-alpha-phosphonoglycine trimethyl ester

Molecular Formula: C10H20NO7PMolecular Weight: 297.242061 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: LJHAPRKTPAREGO-UHFFFAOYSA-N

• N-Cetyl Bromide
IUPAC Name: 1-bromohexadecane | CAS Registry Number: 112-82-3
Synonyms: Cetyl bromide, Hexadecyl bromide, n-Hexadecyl bromide, Hexadecane, 1-bromo-, 1-Hexadecyl bromide, 1-BROMOHEXADECANE, n-Hexadecyl-1-bromide, 234451_ALDRICH, CID8213, NSC4193, NSC 4193, EINECS 204-008-7, AI3-11181, ST5410268

Molecular Formula: C16H33BrMolecular Weight: 305.337220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HNTGIJLWHDPAFN-UHFFFAOYSA-N

• N-Ethyl Piperazine
IUPAC Name: 1-ethylpiperazine | CAS Registry Number: 5308-25-8
Synonyms: 1-Ethylpiperazine, N-Ethylpiperazine, Piperazine, 1-ethyl-, 415308_ALDRICH, EINECS 226-166-6, NSC60707, SBB006719, LS-112626, TL8003488, InChI=1/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WGCYRFWNGRMRJA-UHFFFAOYSA-N

• N-Ethyl-2-Methylbenzimidazole
IUPAC Name: 1-ethyl-2-methylbenzimidazole | CAS Registry Number: 5805-76-5
Synonyms: 1-Ethyl-2-methylbenzimidazole, 1H-Benzimidazole, 1-ethyl-2-methyl-, BENZIMIDAZOLE, 1-ETHYL-2-METHYL-, EINECS 227-362-4, NSC 93793, NSC93793, BRN 0127380, WLN: T56 BN DNJ B2 C1, LS-32967, ST5056411, 5-23-06-00326 (Beilstein Handbook Reference), 42846-39-9

Molecular Formula: C10H12N2Molecular Weight: 160.215680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IPNPFISPYWNXBR-UHFFFAOYSA-N

• n-Heptyl Bromide
IUPAC Name: 1-bromoheptane | CAS Registry Number: 629-04-9
Synonyms: Heptyl bromide, n-Heptyl bromide, 1-BROMOHEPTANE, Heptane, 1-bromo-, B67570_ALDRICH, NSC 7315, 17220_FLUKA, EINECS 211-068-8, NSC7315, CID12369, LS-74296, TL8004311

Molecular Formula: C7H15BrMolecular Weight: 179.098000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LSXKDWGTSHCFPP-UHFFFAOYSA-N

• N-Hexyl Bromide
IUPAC Name: 1-bromohexane | CAS Registry Number: 111-25-1
Synonyms: n-Hexyl bromide, Hexyl bromide, Bromohexane, 1-BROMOHEXANE, Hexane, 1-bromo-, 1-Hexyl bromide, NCIOpen2_000490, B68240_ALDRICH, EINECS 203-850-2, NSC 71206, NSC71206, AI3-28588, LS-75012, InChI=1/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H, 25495-91-4

Molecular Formula: C6H13BrMolecular Weight: 165.071420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MNDIARAMWBIKFW-UHFFFAOYSA-N

• N-Methyl Piperazine
IUPAC Name: 1-methylpiperazine | CAS Registry Number: 109-01-3
Synonyms: N-Methylpiperazine, 1-Methylpiperazine, 4-Methylpiperazine, N'-Methylpiperazine, PIPERAZINE, 1-METHYL-, 1-Methyl-piperazine, nchembio.87-comp44, N-METHYL-PIPERAZINE, CCRIS 6686, WLN: T6M DNTJ D1, 130001_ALDRICH, 14549_FLUKA, 68810_FLUKA, EINECS 203-639-5, NSC 30195, NSC30195, NSC30675, BRN 0102724, AI3-25360, LS-112841

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PVOAHINGSUIXLS-UHFFFAOYSA-N

• N-Methyl-4-Piperidone
IUPAC Name: 1-methylpiperidin-4-one | CAS Registry Number: 1445-73-4
Synonyms: N-Methyl-4-piperidone, 1-Methyl-4-piperidone, 4-Piperidone, 1-methyl-, 1-Methyl-4-piperidione, 1-methylpiperidin-4-one, N-Methyl-4-piperidinone, 1-Methyl-4-piperidinone, 4-PIPERIDINONE, 1-METHYL-, 130036_ALDRICH, NSC66491, CID74049, EINECS 215-895-5, ST5214361, TL8000982, InChI=1/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H

Molecular Formula: C6H11NOMolecular Weight: 113.157640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HUUPVABNAQUEJW-UHFFFAOYSA-N

• N-Octyl Bromide
IUPAC Name: 1-bromooctane | CAS Registry Number: 111-83-1
Synonyms: n-Octyl bromide, 1-Bromooctane, Octyl bromide, 1-Octylbromide, Octane, 1-bromo-, 1-BROMO-N-OCTANE, WLN: E8, 152951_ALDRICH, NSC 9821, 01084_FLUKA, EINECS 203-912-9, NSC9821, AI3-15807, LS-97846, ST5214522

Molecular Formula: C8H17BrMolecular Weight: 193.124580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N

• N-Phenylpiperazine
IUPAC Name: 1-phenylpiperazin-4-ium | CAS Registry Number: 92-54-6
Synonyms: ZINC00120271, CID3732046

Molecular Formula: C10H15N2+Molecular Weight: 163.239500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YZTJYBJCZXZGCT-UHFFFAOYSA-O

• o-Aminoacetophenone
IUPAC Name: 1-(2-aminophenyl)ethanone | CAS Registry Number: 551-93-9
Synonyms: 2-Acetylaniline, o-Acetylaniline, 2'-Aminoacetophenone, o-Aminoacetylbenzene, Acetophenone, 2'-amino-, 2-Aminoacetophenone, O-AMINOACETOPHENONE, 2'-Amonioacetophenone, 1-Acetyl-2-aminobenzene, Ethanone, 1-(2-aminophenyl)-, 1-(2-Aminophenyl)ethanone, A37804_ALDRICH, Ethanone, 1-(aminophenyl)-, W390607_ALDRICH, HSDB 5494, NSC8820, Acetophenone, 2'-amino- (8CI), NSC 8820, EINECS 209-002-8, ZINC00164490

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GTDQGKWDWVUKTI-UHFFFAOYSA-N

• o-Bromoanisole
IUPAC Name: 1-bromo-2-methoxybenzene | CAS Registry Number: 578-57-4
Synonyms: 2-Bromoanisole, Anisole, o-bromo-, o-Anisyl bromide, o-Methoxybromobenzene, 2-Methoxybromobenzene, o-Methoxyphenyl bromide, 2-Methoxyphenyl bromide, Benzene, 1-bromo-2-methoxy-, 2-Bromo-1-methoxybenzene, o-Bromophenyl methyl ether, 1-BROMO-2-METHOXYBENZENE, 159239_ALDRICH, NSC 6977, 16250_FLUKA, EINECS 209-425-8, NSC6977, BRN 1859996, ZINC00164469, AI3-01057, LS-20205

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HTDQSWDEWGSAMN-UHFFFAOYSA-N

• O-Bromobenzaldehyde
IUPAC Name: 2-bromobenzaldehyde | CAS Registry Number: 6630-33-7
Synonyms: 2-Bromobenzaldehyde, o-Bromobenzaldehyde, Benzaldehyde, 2-bromo-, Benzaldehyde, o-bromo-, B57001_ALDRICH, NSC60390, EINECS 229-622-2, NSC 60390, ZINC00157164, ST5213366, B-5780, InChI=1/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5

Molecular Formula: C7H5BrOMolecular Weight: 185.018000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NDOPHXWIAZIXPR-UHFFFAOYSA-N

• O-Bromobenzonitrile
IUPAC Name: 2-bromobenzonitrile | CAS Registry Number: 2042-37-7
Synonyms: o-Bromobenzonitrile, Benzonitrile, 2-bromo-, Benzonitrile, o-bromo-, 2-BROMOBENZONITRILE, o-Bromocyanobenzene, 1-Bromo-2-cyanobenzene, B58008_ALDRICH, Benzonitrile, o-bromo- (8CI), EINECS 218-045-1, NSC 59730, NSC59730, BRN 2042185, SBB008569, ZINC00164585, LS-38645, 4-09-00-01013 (Beilstein Handbook Reference), AC-907/25014151, InChI=1/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4

Molecular Formula: C7H4BrNMolecular Weight: 182.017360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AFMPMSCZPVNPEM-UHFFFAOYSA-N

• o-Bromofluorobenzene
IUPAC Name: 1-bromo-2-fluorobenzene | CAS Registry Number: 1072-85-1
Synonyms: o-Fluorobromobenzene, 1-Bromo-2-fluorobenzene, 2-Fluorobromobenzene, 2-Bromfluorbenzen, 2-Bromofluorobenzene, 1-Fluoro-2-bromobenzene, 1,2-Fluorobromobenzene, 2-Bromfluorbenzen [Czech], Benzene, 1-fluoro-2-bromo-, BENZENE, 1-BROMO-2-FLUORO-, WLN: FR BE, B66809_ALDRICH, EINECS 214-018-3, NSC 59696, NSC59696, LS-30352, ST5406323, InChI=1/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4

Molecular Formula: C6H4BrFMolecular Weight: 174.998363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IPWBFGUBXWMIPR-UHFFFAOYSA-N

• o-Bromotoluene
IUPAC Name: 1-bromo-2-methylbenzene | CAS Registry Number: 95-46-5
Synonyms: o-Tolyl bromide, Toluene, o-bromo-, 2-Tolyl bromide, o-Tolylbromide, 1-Bromo-2-methylbenzene, 2-Methylbromobenzene, 2-BROMOTOLUENE, o-Methylphenyl bromide, Toluene, 2-bromo-, Benzene, 1-bromo-2-methyl-, 1-Methyl-2-bromobenzene, CCRIS 5982, B82006_ALDRICH, HSDB 6013, NSC 6532, EINECS 202-421-7, NSC6532, AI3-26648, LS-1975, NCGC00091045-01

Molecular Formula: C7H7BrMolecular Weight: 171.034480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QSSXJPIWXQTSIX-UHFFFAOYSA-N

• O-Fluoronitrobenzene
IUPAC Name: 1-fluoro-2-nitrobenzene | CAS Registry Number: 1493-27-2
Synonyms: o-Fluoronitrobenzene, 1-Fluoro-2-nitrobenzene, o-Nitrofluorobenzene, 2-Nitrofluorobenzene, 2-Fluoronitrobenzene, Benzene, o-nitrofluoro-, Benzene, 1-fluoro-2-nitro-, F10801_ALDRICH, CID73895, NSC51869, EINECS 216-088-0, NSC 51869, ZINC01682934, TL8001073, InChI=1/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4

Molecular Formula: C6H4FNO2Molecular Weight: 141.099863 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PWKNBLFSJAVFAB-UHFFFAOYSA-N

• o-Methoxyacetophenone
IUPAC Name: 1-(2-methoxyphenyl)ethanone | CAS Registry Number: 579-74-8
Synonyms: o-Acetylanisole, 2-Methoxyacetophenone, o-Acetanisole, 2-Acetylanisole, 2'-Methoxyacetophenone, ortho-Methoxyacetophenone, 2-Methyoxyacetophenone oxime, 1-(2-Methoxyphenyl)ethanone, .alpha.-Methoxyacetophenone, Acetophenone, 2'-methoxy-, Ethanone, 1-(2-methoxyphenyl)-, M9203_ALDRICH, 1-(2-Methoxyphenyl)ethan-1-one, Acetophenone, 2'-methoxy- (8CI), NSC23387, NSC26912, EINECS 209-446-2, NSC 23387, ZINC01602584, AI3-05503

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DWPLEOPKBWNPQV-UHFFFAOYSA-N

• o-Nitroacetophenone
IUPAC Name: 1-(2-nitrophenyl)ethanone | CAS Registry Number: 577-59-3
Synonyms: 2'-Nitroacetophenone, O-NITROACETOPHENONE, Acetophenone, 2'-nitro-, 2-Acetylnitrobenzene, 1-(2-Nitrophenyl)ethanone, Ethanone, 1-(2-nitrophenyl)-, Methyl 2-nitrophenyl ketone, CCRIS 2329, N9209_ALDRICH, NSC 3641, 72600_FLUKA, EINECS 209-414-8, NSC3641, BRN 1102322, ZINC01666914, LS-1406, NCGC00091366-01, SL-00456, ST5406144, 4-07-00-00655 (Beilstein Handbook Reference)

Molecular Formula: C8H7NO3Molecular Weight: 165.146080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SUGXZLKUDLDTKX-UHFFFAOYSA-N

• O-Trifluoromethyl Benzoic Acid
IUPAC Name: 2-(trifluoromethyl)benzoic acid | CAS Registry Number: 433-97-6
Synonyms: 2-Trifluoromethylbenzoic acid, Enamine_005364, 2-Carboxybenzotrifluoride, 2-(Trifluoromethyl)benzoic acid, NCIOpen2_001264, (Trifluoromethyl)benzoic acid, o-CARBOXYBENZOTRIFLUORIDE, 196886_ALDRICH, JRD-0667, NSC88326, EINECS 207-093-9, EINECS 276-274-2, NSC 88326, alpha,alpha,alpha-Trifluoro-o-toluic acid, A,A,A-TRIFLUORO-O-TOLUIC ACID, ST5406430, TL8003054, .alpha.,.alpha.,.alpha.-Trifluoro-o-toluic acid, 137938-95-5, 71990-01-7

Molecular Formula: C8H5F3O2Molecular Weight: 190.119310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FBRJYBGLCHWYOE-UHFFFAOYSA-N

• Octadecyl Bromide
IUPAC Name: 1-bromooctadecane | CAS Registry Number: 112-89-0
Synonyms: Stearyl bromide, Octadecyl bromide, n-Octadecyl bromide, Octadecane, 1-bromo-, 1-BROMOOCTADECANE, OCTADECANE,1-BROMO, 199494_ALDRICH, NSC5542, NSC 5542, EINECS 204-013-4, AI3-00994, ST5410256, InChI=1/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H

Molecular Formula: C18H37BrMolecular Weight: 333.390380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WSULSMOGMLRGKU-UHFFFAOYSA-N

• Octyl isothiocyanate
IUPAC Name: 1-isothiocyanatooctane | CAS Registry Number: 4430-45-9
Synonyms: Octane, 1-isothiocyanato-, Isothiocyanic acid, octyl ester, CID78161, EINECS 224-625-5, TL 00527

Molecular Formula: C9H17NSMolecular Weight: 171.302980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YEZHGQZHWKJPCM-UHFFFAOYSA-N

• Ortho Amino Para Picoline
IUPAC Name: 6-methylpyridin-2-amine | CAS Registry Number: 1824-81-3
Synonyms: 6-Amino-2-picoline, 2-Amino-6-picoline, 2-Amino-6-methylpyridine, 2-Pyridinamine, 6-methyl-, 2-Picoline, 6-amino-, 6-Methyl-2-pyridinamine, 6-Methyl-2-pyridylamine, 6-Amino-2-methylpyridine, 6-Methyl-2-aminopyridine, 6-methylpyridin-2-amine, WLN: T6NJ BZ F1, A75706_ALDRICH, PYRIDINE, 2-AMINO-6-METHYL-, NSC 1488, NSC 6971, EINECS 217-360-1, 2-Picoline, 6-amino- (8CI), NSC1488, NSC6971, BRN 0107048

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QUXLCYFNVNNRBE-UHFFFAOYSA-N

• P-Fluoronitrobenzene
IUPAC Name: 1-fluoro-4-nitrobenzene | CAS Registry Number: 350-46-9
Synonyms: p-Fluoronitrobenzene, 4-Fluoronitrobenzene, p-Nitrofluorobenzene, 4-Nitrofluorobenzene, Benzene, 1-fluoro-4-nitro-, 1-FLUORO-4-NITROBENZENE, 1-Nitro-4-fluorobenzene, 4-Fluoro-1-nitrobenzene, Ambap3154, 1,4-Fluoronitrobenzene, WLN: WNR DF, F11204_ALDRICH, HSDB 2735, 47170_FLUKA, EINECS 206-502-8, NSC 10281, NSC10281, ZINC01706157, LS-30358, TL8002611

Molecular Formula: C6H4FNO2Molecular Weight: 141.099863 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WFQDTOYDVUWQMS-UHFFFAOYSA-N

• p-Xylene Glycol
IUPAC Name: [4-(hydroxymethyl)phenyl]methanol | CAS Registry Number: 589-29-7
Synonyms: p-Xylene glycol, p-Xylyl alcohol, p-Xylylene glycol, p-Xylylenediol, p-Benzenedimethanol, 1,4-BENZENEDIMETHANOL, Terephthalyl alcohol, 1,4-Xylylene glycol, 1,4-Dimethylolbenzene, p-Phenylenedimethanol, p-Xylylene dialcohol, p-Phenylene dicarbinol, 1,4-phenylenedimethanol, p-Bis(hydroxymethyl)benzene, alpha,alpha'-p-Xylenediol, 1,4-Bis(hydroxymethyl)benzene, p-Xylene-alpha,alpha'-diol, p-Xylene-.alpha.,.alpha.'-diol, p-(Hydroxymethyl)benzyl alcohol, p-Xylylene-alpha,alpha'-diol

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

InChIKey: BWVAOONFBYYRHY-UHFFFAOYSA-N

• Paeonol
IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone | CAS Registry Number: 552-41-0
Synonyms: PAEONOL, Peonol, Paeonal, 4-O-Methylresacetophenone, 2'-Hydroxy-4'-methoxyacetophenone, Resacetophenone-4-methyl ether, Spectrum2_001981, Spectrum3_001686, 2-Acetyl-5-methoxy-phenol, 2-Hydroxy-4-methoxyacetophenone, CBiol_000986, BSPBio_003212, H35803_ALDRICH, SPECTRUM1601021, SPBio_002161, Resacetophenone, 4-O-methyl ester, Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-, 1-(2-Hydroxy-4-methoxyphenyl)ethanone, Acetophenone, 2'-hydroxy-4'-methoxy-, EINECS 209-012-2

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UILPJVPSNHJFIK-UHFFFAOYSA-N


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