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Chempure

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Profile: Chempure is involved in the business of chemicals. We provide bio-chemical, fine, organic and specialty research chemicals. Our products include abietic acid, 2-cis-4-trans-abscisic acid, 2-acetamido-5-aminopyridine, 2-amino-4-chloro-6-methylpyrimidine, barium acetate, barium bromate, cadmium carbonate, cadmium sulfate octahydrate, 3-decanone, 2,5-difluorotoluene, 3,4-(ethylenedioxy)benzeneboronic acid and 3-ethyl-3-hexanol.

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• Ethyl1-Piperazineacetate
IUPAC Name: ethyl 2-piperazin-1-ylacetate | CAS Registry Number: 40004-08-8
Synonyms: nchembio814-comp8, Ethyl piperazinoacetate, Ethyl 1-piperazineacetate, Ethyl piperazine-1-acetate, 61897_ALDRICH, N-(Carboethoxymethyl)-piperazine, 61897_FLUKA, 1-(Ethoxycarbonylmethyl)piperazine, EINECS 254-745-3, CID207112, ST5407965, 2-(Piperazin-1-yl)-acetic acid ethyl ester

Molecular Formula: C8H16N2O2Molecular Weight: 172.224840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MTFCXMJOGMHYAE-UHFFFAOYSA-N

• Fenipentol
IUPAC Name: 1-phenylpentan-1-ol | CAS Registry Number: 583-03-9
Synonyms: fenipentol, Suiclisin, Pancoral, Phenylpentanol, 1-Phenylpentanol, Phenylbutylcarbinol, Fenipentolum, 1-Phenyl-1-pentanol, 1-Pentanol, 1-phenyl-, 1-Phenyl-1-hydroxypentane, PH BC, alpha-Butylbenzyl alcohol, alpha-Butylbenzenemethanol, Fenipentolum [INN-Latin], 1-Hydroxy-1-phenylpentane, Fenipentol (JAN/INN), Fenipentol [INN:JAN], Benzenemethanol, alpha-butyl-, Benzenemethanol, .alpha.-butyl-, n-BUTYLPHENYLCARBINOL

Molecular Formula: C11H16OMolecular Weight: 164.244140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OVGORFFCBUIFIA-UHFFFAOYSA-N

• Flavokawain C
IUPAC Name: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 56798-34-6
Synonyms: flavokawin, CHEBI:518539, ZINC04100761, CPD-7126, LMPK12120320, CID6293081, LT00847919, AQ-358/42003063, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

Molecular Formula: C17H16O5Molecular Weight: 300.305940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UXUFMIJZNYXWDX-VMPITWQZSA-N

• Formylmethylene triphenylphosphorane
IUPAC Name: 2-tri(phenyl)phosphoranylideneacetaldehyde | CAS Registry Number: 2136-75-6
Synonyms: (Triphenylphosphoranylidene)acetaldehyde, Formylmethylenetriphenylphosphorane, 280933_ALDRICH, (Formylmethylene)triphenylphosphorane, EINECS 218-375-6

Molecular Formula: C20H17OPMolecular Weight: 304.322141 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CQCAYWAIRTVXIY-UHFFFAOYSA-N

• Gamma-Crotonolactone
IUPAC Name: 2H-furan-5-one | CAS Registry Number: 497-23-4
Synonyms: 2-Butenolide, Isocrotonolactone, 2(5H)-Furanone, Crotonolactone, 2-Buten-4-olide, BUTENOLIDE, gamma-Crotolactone, gamma-Crotonolactone, Furan-2(5H)-one, .gamma.-Crotonolactone, alpha,beta-Crotonolactone, 5H-furan-2-one, 2-Oxo-2,5-dihydrofuran, but-2-en-4-olide, 2-(5H)-furanone, 2-Buten-1,4-olide, delta,alpha,beta-Butenolide, 4-Hydroxy-2-butenoic acid lactone, 2-Butenoic acid gamma-lactone, 2-Butenoic acid-gamma-lactone

Molecular Formula: C4H4O2Molecular Weight: 84.073360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VIHAEDVKXSOUAT-UHFFFAOYSA-N

• Glyoxal bis(diallyl acetal)
IUPAC Name: 3-[1,2,2-tri(prop-2-enoxy)ethoxy]prop-1-ene | CAS Registry Number: 16646-44-9
Synonyms: Tetraallyloxyethane, Tetra(allyloxy)ethane, Tetrakis(allyloxy)ethane, Glyoxal tetraallyl acetal, Tetra(allyloxy)ethane (VAN), Glyoxal, bis(diallyl acetal), 1,1,2,2-Tetrakis(allyloxy)ethane, 1,1,2,2-Tetraallyloxyethane, 260541_ALDRICH, EINECS 240-692-3, Ethane, 1,1,2,2-tetrakis(allyloxy)-, NSC 158328, BRN 2254529, EINECS 249-933-7, NSC158328, Glyoxal, bis(diallyl acetal) (7CI,8CI), AI3-62477, WLN: 1U2OYO2U1&YO2U1&O2U1, LS-65699, 3,3',3'',3'''-(1,2-Ethanediylidenetetrakis(oxy))tetrakispropene

Molecular Formula: C14H22O4Molecular Weight: 254.322080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BXAAQNFGSQKPDZ-UHFFFAOYSA-N

• Halothane
IUPAC Name: 2-bromo-2-chloro-1,1,1-trifluoroethane | CAS Registry Number: 151-67-7
Synonyms: halothane, Fluothane, Fluorotane, Ftuorotan, Narcotane, Ftorotan, Halothan, Narcotan, Phthorothanum, Rhodialothan, Halotano, Narkotan, Anestan, Fluktan, Halotan, Halsan, Halan, Chalothane, Fluorothane, Alotano

Molecular Formula: C2HBrClF3Molecular Weight: 197.381550 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BCQZXOMGPXTTIC-UHFFFAOYSA-N

• Henicosafluoro-10-iododecane
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-iododecane | CAS Registry Number: 423-62-1
Synonyms: 1-Iodoperfluorodecane, Perfluorodecyl iodide, Perfluoro-1-iododecane, Heneicosafluoro-1-iododecane, Decane, heneicosafluoro-1-iodo-, 257842_ALDRICH, EINECS 207-030-5, CID67920, LS-59335, Decane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-10-iodo-, Decane, 1-iodo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluoro-

Molecular Formula: C10F21IMolecular Weight: 645.977937 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 21

InChIKey: UDWBMXSQHOHKOI-UHFFFAOYSA-N

• Heptafluorobutyraldehyde Hydrate, Tech.
IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanal | CAS Registry Number: 375-02-0
Synonyms: Butanal, heptafluoro-, Heptafluorobutyraldehyde, Butyraldehyde, heptafluoro-, CID67809, EINECS 206-783-7, ZINC01847488

Molecular Formula: C4HF7OMolecular Weight: 198.038962 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: IQJZGNJYXIIMGP-UHFFFAOYSA-N

• Heptafluoropropyl Phenyl Ketone
IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-1-phenylbutan-1-one | CAS Registry Number: 559-91-1
Synonyms: NSC42768, ZINC01675560

Molecular Formula: C10H5F7OMolecular Weight: 274.134922 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: UKYZDGAVBNKBPQ-UHFFFAOYSA-N

• Hexadecanedioic acid
IUPAC Name: hexadecanedioic acid | CAS Registry Number: 505-54-4
Synonyms: Thapsic acid, HEXADECANEDIOIC ACID, HEXADECANEDIOIC, Hexadecane-1,16-dioic acid, 1,16-Hexadecanedioic acid, 1,14-Tetradecanedicarboxylic acid, 177504_ALDRICH, MEGxp0_000578, NSC15164, AIDS002608, AIDS-002608, EINECS 208-013-5, LMFA01170022, NSC 15164, n-Tetradecane-.omega.,.omega.'-dicarboxylic acid, n-Tetradecane-omega,omega'-dicarboxylic acid

Molecular Formula: C16H30O4Molecular Weight: 286.407000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QQHJDPROMQRDLA-UHFFFAOYSA-N

• Hexadecyl tributyl phosphonium bromide
IUPAC Name: tributyl(hexadecyl)phosphanium bromide | CAS Registry Number: 14937-45-2
Synonyms: Tributylhexadecylphosphonium bromide, EINECS 239-014-9, Phosphonium, tributylhexadecyl-, bromide

Molecular Formula: C28H60BrPMolecular Weight: 507.653761 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M

• Hexafluoro-2-(4-tolyl)isopropanol
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol | CAS Registry Number: 2010-61-9
Synonyms: 2-(p-Tolyl)hexafluoroisopropanol, Hexafluoro-2(p-tolyl)isopropanol, ZINC00157911, CID74829, Hexafluoro-2-(p-tolyl)-i-propanol, EINECS 217-928-9, Hexafluoro-2-(p-tolyl)-2-propanol, EC-000.1821, p-Cymen-8-ol, 9,9,9,10,10,10-hexafluoro-, 4-Methyl-alpha,alpha-bis(trifluoromethyl)benzyl alcohol, Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)-

Molecular Formula: C10H8F6OMolecular Weight: 258.160339 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: AOAVZPXKNQAALI-UHFFFAOYSA-N

• Hexafluoroisopropyl Tosylate
IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate | CAS Registry Number: 67674-48-0
Synonyms: NSC179424, CID98916, EINECS 266-887-3, ZINC01730139, LT03496196, 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate, 2,2,2-Trifluoro-1-(trifluoromethyl)ethyl toluene-p-sulphonate, 2,2,2-Trifluoro-1-(trifluoromethyl)ethyl 4-methylbenzenesulfonate, 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)

Molecular Formula: C10H8F6O3SMolecular Weight: 322.224139 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: QGSVBFAODCJVIZ-UHFFFAOYSA-N

• Hydratropic Alcohol
IUPAC Name: 2-phenylpropan-1-ol | CAS Registry Number: 1123-85-9
Synonyms: Hydratropic alcohol, Hydratropyl alcohol, 2-Phenyl-1-propanol, 2-Phenylpropan-1-ol, 2-Phenylpropanol-1, 2-Phenylpropyl alcohol, 1-Propanol, 2-phenyl-, beta-Methylbenzeneethanol, 1-Hydroxy-2-phenylpropane, beta-Phenylpropyl alcohol, beta-Methylphenethyl alcohol, 2-Methyl-2-phenylethanol, (-)-2-Phenylpropanol, Benzeneethanol, beta-methyl-, Benzeneethanol, .beta.-methyl-, ()-2-Phenyl-1-propanol, .beta.-Phenylpropyl alcohol, FEMA No. 2732, alpha-Methyl phenylethyl alcohol, Phenethyl alcohol, .beta.-methyl-

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RNDNSYIPLPAXAZ-UHFFFAOYSA-N

• Hydroquinone diacetate
IUPAC Name: (4-acetyloxyphenyl) acetate | CAS Registry Number: 1205-91-0
Synonyms: p-Diacetoxybenzene, 1,4-Diacetoxybenzene, Hydroquinone, diacetate, 1,4-Benzenediol, diacetate, p-Phenylene di(acetate), 4-(Acetyloxy)phenyl acetate, NSC9277, NSC 9277, EINECS 214-887-9, SBB008048, ZINC00254933, AI3-11162, EU-0066892, 128805-33-4

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AKOGNYJNGMLDOA-UHFFFAOYSA-N

• Hydroxymethyl Triphenylphosphonium Chloride
IUPAC Name: hydroxymethyl(triphenyl)phosphanium chloride | CAS Registry Number: 5293-83-4
Synonyms: (Hydroxymethyl)triphenylphosphonium chloride, EINECS 226-138-3, NSC221281, CID3083895, ST5407041, TL8003478

Molecular Formula: C19H18ClOPMolecular Weight: 328.772381 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VTXFLDLWTNQCAL-UHFFFAOYSA-M

• Iodomethyltrimethylammonium iodide
IUPAC Name: iodomethyl(trimethyl)azanium | CAS Registry Number: 39741-91-8
Synonyms: Iodotrimethylammonium, Iodotrimethylammonium chloride, CID38329, ZINC02007443, Methanaminium, 1-iodo-N,N,N-trimethyl-, 39895-69-7

Molecular Formula: C4H11IN+Molecular Weight: 200.041310 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IHYUSIMWXXUFAR-UHFFFAOYSA-N

• Isoflurane
IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane | CAS Registry Number: 26675-46-7
Synonyms: isoflurane, Forane, Aerrane, Forene, IsoFlo, AErrane (Veterinary), Compound 469, Forane (TN), Isofluranum [INN-Latin], R-E 235dal, Isoflurano [INN-Spanish], C3H2ClF5O, CCRIS 3043, CHEBI:6015, Isoflurane (JP15/USP/INN), Isoflurane [Anaesthetics, volatile], EINECS 247-897-7, AIDS213021, Isoflurane [USAN:BAN:INN:JAN], Isoflurane [USAN:INN:BAN:JAN]

Molecular Formula: C3H2ClF5OMolecular Weight: 184.492396 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PIWKPBJCKXDKJR-UHFFFAOYSA-N

• L(-)-Mandelic Acid
IUPAC Name: (2S)-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 17199-29-0
Synonyms: L-mandelic acid, (S)-Mandelic acid, (S)-Mandelate, D-Mandelic acid, (S)-Mandelsaeure, L-()-Mandelic acid, MANDELIC ACID, S(+)-Mandelic Acid, (S)-()-Mandelic acid, Hydroxy(phenyl)acetic acid, M2004_ALDRICH, (S)-2-Hydroxy-2-phenylacetate, (S)-mandelic acid, MLS000069517, L-(+)-MANDELIC ACID, (S)-2-Hydroxy-2-phenylacetic acid, 63462_FLUKA, CHEBI:32800, (2S)-hydroxy(phenyl)acetic acid, CPD-122

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IWYDHOAUDWTVEP-ZETCQYMHSA-N

• L-2-Octanol
IUPAC Name: (2R)-octan-2-ol | CAS Registry Number: 5978-70-1
Synonyms: l-Octan-2-ol, (R)-2-octanol, (2R)-2-octanol, (2R)-octan-2-ol, 2-Octanol, (theta)-, 2-Octanol, (2R)-, (R)-(-)-2-Octanol, 147990_ALDRICH, 74865_FLUKA, CHEBI:37871, EINECS 227-777-0, ZINC01653215, (R)-(−)-2-Octanol, 113301-47-6, 123-96-6, 4128-32-9, 51003-19-1

Molecular Formula: C8H18OMolecular Weight: 130.227920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SJWFXCIHNDVPSH-MRVPVSSYSA-N

• L-Azetidine-2-carboxylic acid
IUPAC Name: (2S)-azetidine-2-carboxylic acid | CAS Registry Number: 2133-34-8
Synonyms: Azetidinecarboxylic acid, Azetidyl-2-carboxylic acid, (S)-Azetidine-2-carboxylic acid, (S)-2-Azetidinecarboxylic acid, L-Azetidine 2-carboxylic acid, 2-Azetidinecarboxylic acid, L-, Lopac0_000023, HSDB 3465, A0760_SIGMA, Azetidine-2-carboxylic acid, L-, (2S)-azetidine-2-carboxylic acid, CHEBI:6198, 2-Azetidinecarboxylic acid, (S)-, 11542_FLUKA, EINECS 218-362-5, (S)-(-)-Azetidine-2-carboxylic acid, CID16486, (L)-AZETIDINE-2-CARBOXYLIC ACID, SBB004365, Acide L-azetidine-2-carboxylic [French]

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IADUEWIQBXOCDZ-VKHMYHEASA-N

• L-Dihydroorotic acid
IUPAC Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid | CAS Registry Number: 5988-19-2
Synonyms: L-dihydroorotate, Dihydro-L-orotic acid, Dihydroorotic acid, 1xge, L-Hydroorotic acid, (S)-dihydroorotate, Ambap760, (S)-dihydroorotic acid, (S)-4,5-Dihydroorotate, (S)-4,5-dihydroorotic acid, D7128_SIGMA, CHEBI:17025, 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid, C00337, (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, DOR, ORO

Molecular Formula: C5H6N2O4Molecular Weight: 158.112140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UFIVEPVSAGBUSI-REOHCLBHSA-N

• L-Pyroglutamic acid
IUPAC Name: (2S)-5-oxopyrrolidine-2-carboxylic acid | CAS Registry Number: 98-79-3
Synonyms: Pyroglutamic acid, 5-oxo-L-proline, Pidolic acid, Pyroglutamate, 5-OXOPROLINE, Proline, 5-oxo-, L-5-Oxoproline, OXOPROLINE, 5-oxo-D-proline, GLUTIMINIC ACID, Pidolic acid [INN], GLUTIMIC ACID, L-GLUTIMIC ACID, L-Proline, 5-oxo-, nchembio756-comp7, DL-Pyroglutamic acid, L-GLUTIMINIC ACID, Pyrrolidonecarboxylic acid, Proline, 5-oxo-, L-, 5-Carboxy-2-pyrrolidinone

Molecular Formula: C5H7NO3Molecular Weight: 129.113980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ODHCTXKNWHHXJC-VKHMYHEASA-N

• L-Pyroglutaminol
IUPAC Name: (5S)-5-(hydroxymethyl)pyrrolidin-2-one | CAS Registry Number: 17342-08-4
Synonyms: 366366_ALDRICH, 5-(hydroxymethyl)pyrrolidin-2-one, SBB004302, ZINC04202249, 2-Pyrrolidinone, 5-(hydroxymethyl)-, S)-5-(Hydroxymethyl)-2-pyrrolidinone, (S)-5-(Hydroxymethyl)-2-pyrrolidinone, TL8006226, InChI=1/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8

Molecular Formula: C5H9NO2Molecular Weight: 115.130460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HOBJEFOCIRXQKH-BYPYZUCNSA-N

• M-Chloroiodobenzene
IUPAC Name: 1-chloro-3-iodobenzene | CAS Registry Number: 625-99-0
Synonyms: m-Chloroiodobenzene, 3-Iodochlorobenzene, 1-Chloro-3-iodobenzene, m-Chlorophenyl iodide, Benzene, 1-chloro-3-iodo-, 3-CHLOROIODOBENZENE, 3-Chloro-1-iodobenzene, nchembio.87-comp56, 1-Chloro-3-iodo-benzene, 242578_ALDRICH, NSC32861, EINECS 210-920-6, NSC 32861, TL 00516, AI3-22030, TL8004201, InChI=1/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4ClIMolecular Weight: 238.453430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JMLWXCJXOYDXRN-UHFFFAOYSA-N

• m-PEG2-Br
IUPAC Name: 1-(2-bromoethoxy)-2-methoxyethane | CAS Registry Number: 54149-17-6
Synonyms: 1-Bromo-3,6-dioxaheptane, 7-Bromo-2,5-dioxaheptane, 1-Bromo-2-(2-methoxyethoxy)ethane, 456195_ALDRICH, 639842_ALDRICH, ZINC02242584, EINECS 259-000-6, CID123532, Ethane, 1-(2-bromoethoxy)-2-methoxy-, BBV-059265, TL8003555, I14-1752

Molecular Formula: C5H11BrO2Molecular Weight: 183.043640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HUXJXNSHCKHFIL-UHFFFAOYSA-N

• m-Phenylene dibenzoate
IUPAC Name: (3-benzoyloxyphenyl) benzoate | CAS Registry Number: 94-01-9
Synonyms: Resorcinol dibenzoate, Resorcinol, dibenzoate, 1,3-Dibenzoyloxybenzene, 1,3-Phenylenedibenzoate, 1,3-Benzenediol, dibenzoate, 1,3-Bis(benzoyloxy)benzene, Oprea1_087187, Oprea1_857675, EINECS 202-294-8, NSC4906, MolPort-001-012-546, NSC 33405, AIDS018136, 1,3-Benzenediol, 1,3-dibenzoate, AIDS-018136, CID66742, NSC33405, BRN 2059467, ZINC00241689, AI3-00846

Molecular Formula: C20H14O4Molecular Weight: 318.322760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SUQGLJRNDJRARS-UHFFFAOYSA-N

• m-Phenylenediacetic acid
IUPAC Name: 2-[3-(carboxymethyl)phenyl]acetic acid | CAS Registry Number: 19806-17-8
Synonyms: m-Benzenediacetic acid, 1,3-Benzenediacetic acid, 1,3-Phenylenediacetic acid, WLN: QV1R C1VQ, P23350_ALDRICH, EINECS 243-332-3, NSC 75867, 1,3-Benzenediacetic acid (9CI), CID29788, NSC75867, BRN 2616749, ACETIC ACID, 2,2'-(m-PHENYLENE)DI-, LS-12735, 3-09-00-04294 (Beilstein Handbook Reference)

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GDYYIJNDPMFMTB-UHFFFAOYSA-N

• Mandelic acid
IUPAC Name: 2-hydroxy-2-phenylacetic acid | CAS Registry Number: 90-64-2
Synonyms: MANDELIC ACID, dl-Mandelic acid, Uromaline, Amygdalic acid, Almond acid, p-Mandelic acid, Phenylglycolic acid, Mandelsaeure, Paramandelic acid, Amygdalinic acid, L-mandelic acid, Racemic mandelic acid, Phenylhydroxyacetic acid, Glycolic acid, phenyl-, (RS)-Mandelic acid, Hydroxy(phenyl)acetic acid, 2-Phenylglycolic acid, (r)-mandelic acid, (+-)-Mandelic acid, (S)-Mandelic acid

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IWYDHOAUDWTVEP-UHFFFAOYSA-N

• Mebrofenin
IUPAC Name: 2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid | CAS Registry Number: 78266-06-5
Synonyms: Choletec, MEBROFENIN, Mebrofenine, Mebrofenino, Mebrofeninum, Mebrofenine [INN-French], Mebrofeninum [INN-Latin], Mebrofenino [INN-Spanish], Mebrofenin (USAN/INN), Mebrofenin [USAN:INN], UNII-7PV0B6ED98, EINECS 278-877-6, CID54158, SQ 26962, NCGC00181297-01, LS-72341, SQ-26962, D04869, ((((3-Bromomesityl)carbamoyl)methyl)imino)diacetic acid, Glycine, N-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)-N-(carboxymethyl)-

Molecular Formula: C15H19BrN2O5Molecular Weight: 387.225760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MHPZZZZLAQGTHT-UHFFFAOYSA-N

• Menthyl acetate
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate | CAS Registry Number: 2623-23-6
Synonyms: L-Menthyl acetate, (-)-Menthyl acetate, (dl)-Menthyl acetate, Menthyl acetate, dl-, (+-)-Menthol acetate, (+-)-Menthyl acetate, L-p-Menth-3-yl acetate, p-Menth-3-yl acetate, dl-, (1R)-(-)-Menthyl acetate, W266825_ALDRICH, NSC3722, 441058_ALDRICH, NSC52970, 45985_FLUKA, 45990_FLUKA, CPD-5761, EINECS 201-911-8, EINECS 249-409-8, CID220674, ZINC01850068

Molecular Formula: C12H22O2Molecular Weight: 198.301880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XHXUANMFYXWVNG-ADEWGFFLSA-N

• Methoxymethyltriphenylphosphonium Chloride
IUPAC Name: methoxymethyl-tri(phenyl)phosphanium | CAS Registry Number: 4009-98-7
Synonyms: EINECS 223-664-5, (Methoxymethyl)triphenylphosphonium chloride, CID2723799, AI3-60088, Phosphonium, (methoxymethyl)triphenyl-, chloride

Molecular Formula: C20H20OP+Molecular Weight: 307.345961 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SDMCZCALYDCRBH-UHFFFAOYSA-N

• Methyl DL-Mandelate
IUPAC Name: methyl 2-hydroxy-2-phenylacetate | CAS Registry Number: 4358-87-6
Synonyms: Methyl mandelate, Methyl dl-mandelate, Methyl phenylglycolate, Methyl DL -mandelate, Methyl (1)-glycolate, Spectrum_000182, SpecPlus_000159, Mandelic acid, methyl ester, Spectrum2_000182, Spectrum3_000217, Spectrum4_001435, Spectrum5_000290, Methyl (R)-(-)-mandelate, Methyl (S)-(+)-mandelate, BSPBio_001833, KBioGR_001910, KBioSS_000662, M54104_ALDRICH, DivK1c_006255, SPBio_000103

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

InChIKey: ITATYELQCJRCCK-UHFFFAOYSA-N

• Methyl isoeugenol
IUPAC Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene | CAS Registry Number: 93-16-3
Synonyms: Methylisoeugenol, Isohomogenol, Isomethyleugenol, trans-Methylisoeugenol, Propenylguaiacol, 4-Propenylveratrole, Isoeugenyl methyl ether, O-Methylisoeugenol, (E)-Methyl isoeugenol, 1-Veratryl-1-propene, 4-trans-Propenylveratrole, Isoeugenol methyl ether, trans-4-Propenylveratrole, trans-isomethyleugenol, trans-Methyl isoeugenol, 3,4-Dimethoxypropenylbenzene, 1,3,4-Isoeugenol methyl ether, ghl.PD_Mitscher_leg0.366, W247618_ALDRICH, Benzene, 1,2-dimethoxy-4-propenyl-

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NNWHUJCUHAELCL-SNAWJCMRSA-N

• Myristyl Trimethyl Ammonium Chloride
IUPAC Name: trimethyl(tetradecyl)azanium chloride | CAS Registry Number: 4574-04-3
Synonyms: Tetradecyltrimethylammonium chloride, Myristyltrimethylammonium chloride, Trimethyltetradecylammonium chloride, 87212_FLUKA, EINECS 224-958-6, NSC 61371, Trimethyl(tetradecyl)ammonium chloride, NSC61371, Ammonium, trimethyltetradecyl-, chloride, Trimethyl-tetradecylammonium chloride, 1-Tetradecanaminium, N,N,N-trimethyl-, chloride, LS-148887, Ammonium, trimethyltetradecyl-, chloride (8CI), N,N,N-TRIMETHYL-1-TETRADECANAMINIUM CHLORIDE, 10182-92-0

Molecular Formula: C17H38ClNMolecular Weight: 291.943320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CEYYIKYYFSTQRU-UHFFFAOYSA-M

• N,N-Dibenzyl-L-Phenylalaninol
IUPAC Name: (2S)-2-(dibenzylamino)-3-phenylpropan-1-ol | CAS Registry Number: 111060-52-7
Synonyms: N,N-Dibenzyl-L-phenylalaninol, (S)-(+)-2-(Dibenzylamino)-3-phenyl-1-propanol, SureCN475639, AC1Q77RI, AC1Q77RJ, 421731_ALDRICH, CTK4A7161, MolPort-001-793-346, ZINC19942960, AKOS015910561, AG-D-29024, O033, (S)-2-(dibenzylamino)-3-phenylpropan-1-ol, FT-0629444, (S)-()-2-Dibenzylamino-3-Phenyl-1-Propanol, (S)-(+)-2-Dibenzylamino-3-Phenyl-1-Propanol, Benzenepropanol, b-[bis(phenylmethyl)amino]-, (bS)-, I14-39662, Benzenepropanol,b-[bis(phenylmethyl)amino]-, (S)-;(S)-2-(Dibenzylamino)-3-phenylpropan-1-ol; 2-(S)-Dibenzylamino-3-phenylpropan-1-ol;N,N-Dibenzyl-L-phenylalaninol

Molecular Formula: C23H25NOMolecular Weight: 331.450700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZXNVOFMPUPOZDF-QHCPKHFHSA-N

• N,N-Dimethylaminomethyl Ferrocene
IUPAC Name: cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine; iron(2+) | CAS Registry Number: 1271-86-9
Synonyms: Dimethylaminomethylferrocene, ((Dimethylamino)methyl)ferrocene, N,N-Dimethylferrocenylmethylamine, NSC 3432, EINECS 215-044-8, Ferrocene, ((dimethylamino)methyl)-, Ferrocenemethylamine, N,N-dimethyl- (8CI), Iron, cyclopentadienyl(((dimethylamino)methyl)cyclopentadienyl)-, 12184-36-0

Molecular Formula: C13H17FeNMolecular Weight: 243.125780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ISDNRMKSXGICTM-UHFFFAOYSA-N

• N-(2-Hydroxypropyl)Morpholine
IUPAC Name: 1-morpholin-4-ylpropan-2-ol | CAS Registry Number: 2109-66-2
Synonyms: 4-(2-Hydroxypropyl)morpholine, Alpha-methyl-4-morpholineethanol, N-(beta-Hydroxypropyl)morpholine, NSC61987, 4-Morpholineethanol, alpha-methyl-, CID97957, EINECS 218-298-8, LT00000044

Molecular Formula: C7H15NO2Molecular Weight: 145.199500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YAXQOLYGKLGQKA-UHFFFAOYSA-N

• N-(2-Nitrobenzyl)pyrrole-2-carboxaldehyde
IUPAC Name: 1-[(2-nitrophenyl)methyl]pyrrole-2-carbaldehyde | CAS Registry Number: 22162-51-2
Synonyms: 1-(2-nitrobenzyl)-1H-pyrrole-2-carbaldehyde, 1-[(2-nitrophenyl)methyl]pyrrole-2-carbaldehyde, SBB057925, ZINC00156370, AC1LEHMF, MLS000677165, AC1Q205Q, CTK4E8802, MolPort-002-229-457, HMS2615D10, KST-1B1821, AR-1B1069, BBL015256, STK320347, AKOS000411370, AG-E-62121, AM84790, MCULE-5058323350, AK110867, KB-63869

Molecular Formula: C12H10N2O3Molecular Weight: 230.219400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AKFAPUIPEQSHJL-UHFFFAOYSA-N

• N-Acetyl-4-Piperidone
IUPAC Name: 1-acetylpiperidin-4-one | CAS Registry Number: 32161-06-1
Synonyms: N-Acetyl-4-piperidone, 1-Acetyl-4-piperidone, 1-Acetyl-4-piperidinone, 4-Piperidinone, 1-acetyl-, 388254_ALDRICH, EINECS 250-937-6, ZINC00395510, AI3-39159, ST5214382, 3211-06-1

Molecular Formula: C7H11NO2Molecular Weight: 141.167740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NNFOVLFUGLWWCL-UHFFFAOYSA-N

• N-Amyl triphenylphosphonium bromide
IUPAC Name: pentyl(triphenyl)phosphanium bromide | CAS Registry Number: 21406-61-1
Synonyms: Pentyltriphenylphosphonium bromide, EINECS 244-374-5, ST5405465

Molecular Formula: C23H26BrPMolecular Weight: 413.330301 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VAUKWMSXUKODHR-UHFFFAOYSA-M

• N-Benzoyl-4-piperidone
IUPAC Name: 1-(benzoyl)piperidin-4-one | CAS Registry Number: 24686-78-0
Synonyms: 1-Benzoyl-4-oxopiperidine, 1-Benzoyl-4-piperidone, 4-Piperidinone, 1-benzoyl-, Maybridge1_002529, 1-benzoylpiperidin-4-one, 1-Benzoyl-4-piperidinone, 4-Piperidone, 1-benzoyl-, DivK1c_001281, 107328_ALDRICH, NSC97564, EINECS 246-407-9, ZINC00135582, CDS1_000241, ST5308064, InChI=1/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H

Molecular Formula: C12H13NO2Molecular Weight: 203.237120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NZAXGZYPZGEVBD-UHFFFAOYSA-N

• N-Benzyl-3-pyrrolidone
IUPAC Name: 1-(phenylmethyl)pyrrolidin-3-one | CAS Registry Number: 775-16-6
Synonyms: N-Benzyl-3-pyrrolidinone, 1-Benzyl-3-pyrrolidinone, 1-(Benzyl)pyrrolidin-3-one, 185175_ALDRICH, EINECS 212-274-0, 3-Pyrrolidinone, 1-(phenylmethyl)-, ST5405397

Molecular Formula: C11H13NOMolecular Weight: 175.227020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DHGMDHQNUNRMIN-UHFFFAOYSA-N

• N-Benzyl-4-Hydroxy Piperidine
IUPAC Name: 1-(phenylmethyl)piperidin-4-ol | CAS Registry Number: 4727-72-4
Synonyms: 1-Benzyl-4-piperidinol, 1-Benzyl-4-hydroxypiperidine, 1-Benzylpiperidin-4-ol, Maybridge4_002103, N-Benzyl-4-hydroxypiperidine, Oprea1_200507, 152986_ALDRICH, 4-Piperidinol, 1-(phenylmethyl)-, NSC72991, CID78461, EINECS 225-226-9, NCGC00176919-01, ST5308483, TL8003220, SR-01000633765-1

Molecular Formula: C12H17NOMolecular Weight: 191.269480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BPPZXJZYCOETDA-UHFFFAOYSA-N

• N-boc-4-Piperidinol
IUPAC Name: tert-butyl 4-hydroxypiperidine-1-carboxylate | CAS Registry Number: 109384-19-2
Synonyms: 1-Boc-4-piperidinol, 1-Boc-4-hydroxypiperidine, Maybridge3_000273, N-Boc-4-hydroxy-piperidine, 495484_ALDRICH, ARONIS010264, 50408_FLUKA, ZINC00066271, IDI1_011660, ST5307498, TL8000300, tert-Butyl 4-hydroxy-1-piperidinecarboxylate, tert-butyl 4-hydroxypiperidine-1-carboxylate, 1-piperidinecarboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester, InChI=1/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H

Molecular Formula: C10H19NO3Molecular Weight: 201.262760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PWQLFIKTGRINFF-UHFFFAOYSA-N

• N-Boc-piperidine
IUPAC Name: tert-butyl piperidine-1-carboxylate | CAS Registry Number: 75844-69-8
Synonyms: 1-Boc-piperidine, tert-butyl piperidine-1-carboxylate, N-(tert-Butoxycarbonyl)piperidine, SBB056092, AG-H-02410, tert-butyl piperidinecarboxylate, ZINC02389378, PubChem7258, N-Boc-tetrahydropyridine, SureCN13445, AC1Q1N4M, SureCN2077166, KSC493G3T, 655872_ALDRICH, CTK3J3339, MolPort-003-938-377, ANW-52155, AKOS005145952, MCULE-4734411374, RP03401

Molecular Formula: C10H19NO2Molecular Weight: 185.263360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RQCNHUCCQJMSRG-UHFFFAOYSA-N

• N-Boc-pyrrolidine
IUPAC Name: tert-butyl pyrrolidine-1-carboxylate | CAS Registry Number: 86953-79-9
Synonyms: 1-Boc-Pyrrolidine, tert-butyl pyrrolidine-1-carboxylate, pyrrolidine-1-carboxylic acid tert-butyl ester, ST50824995, ACMC-20aivt, PubChem9422, SureCN5053, 1-Boc-3-Hydropyrrolidine, AC1LD79P, SureCN7858182, KSC491I9N, 427055_ALDRICH, Jsp000752, tert-butyl pyrrolidinecarboxylate, CTK3J1496, MolPort-001-768-806, 1-(tert-Butoxycarbonyl)pyrrolidine, HT728, tert-Butyl 1-pyrrolidinecarboxylate, ACT01708

Molecular Formula: C9H17NO2Molecular Weight: 171.236780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LPQZERIRKRYGGM-UHFFFAOYSA-N

• N-Carbethoxy-4-piperidone
IUPAC Name: ethyl 4-oxopiperidine-1-carboxylate | CAS Registry Number: 29976-53-2
Synonyms: 1-Carbethoxy-4-piperidone, 1-Ethoxycarbonyl-4-piperidone, Ethyl 4-oxo-1-piperidinecarboxylate, 153737_ALDRICH, 1-Ethoxycarbonyl-4-piperidinone, N-Ethoxycarbonyl-4-piperidinone, 1-Ethoxycarbonyl-4-oxopiperidine, 1-(Ethoxycarbonyl)-4-piperidone, EINECS 249-984-5, Ethyl 4-oxopiperidine-1-carboxylate, NSC139022, ZINC00155166, TL806188, ST5308494, 1-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, 4-Oxo-1-piperidinecarboxylic acid ethyl ester, T-000509

Molecular Formula: C8H13NO3Molecular Weight: 171.193720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LUBGFMZTGFXIIN-UHFFFAOYSA-N

• N-Cyanoacetylpyrrolidine
IUPAC Name: 3-oxo-3-pyrrolidin-1-ylpropanenitrile | CAS Registry Number: 14227-95-3
Synonyms: 1-Cyanoacetylpyrrolidine, Pyrrolidine, 1-(cyanoacetyl)-, 1-(Cyanoacetyl)pyrrolidine, Bionet2_000489, NSC102766, ALBB-005845, CID84272, EINECS 238-096-3, STK501248, ZINC00159743, 3-oxo-3-pyrrolidin-1-ylpropanenitrile, 3-oxo-3-(pyrrolidin-1-yl)propanenitrile, T0513-0431

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VEUDVNNBYYRZBV-UHFFFAOYSA-N


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