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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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• 1,2-Benzisoxazole
IUPAC Name: 1,2-benzoxazole | CAS Registry Number: 271-95-4
Synonyms: Indoxazene, benzisoxazole, Benz(d)isoxazole, 1,2-benzoxazole, 4,5-Benzisoxazole, 1-Oxa-2-aza-1H-indene, 12255_ALDRICH, CHEBI:51554, CID71073, EINECS 205-983-1, ZINC04521187, T5666490, InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5

Molecular Formula: C7H5NOMolecular Weight: 119.120700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KTZQTRPPVKQPFO-UHFFFAOYSA-N

• 1-Butyl-3-methylimidazolium tetrafluoroborate
IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate | CAS Registry Number: 174501-65-6
Synonyms: BMIMBF4, 1-n-Butyl-3-Methylimidazolium Tetrafluoroborate, AG-E-24087, Bmim tetrafluoroborate, Basionics® EE 04, ACMC-209e8d, AC1MC0J5, AGN-PC-008UBP, DSSTox_CID_29087, DSSTox_RID_83306, UNII-T2TVZ2306T, DSSTox_GSID_49231, KSC174I1T, 91508_ALDRICH, Jsp003572, BMIMBF4; Basionics? EE 04, 39931_FLUKA, 91508_FLUKA, CTK0H4419, MolPort-003-931-804

Molecular Formula: C8H15BF4N2Molecular Weight: 226.022713 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LSBXQLQATZTAPE-UHFFFAOYSA-N

• 1,2,3,5-Tetra-0-Acetyl-Ribofuranose
IUPAC Name: [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl] acetate | CAS Registry Number: 13035-61-5
Synonyms: nchembio.121-comp35, 159026_ALDRICH, Tetraacetyl-beta-D-ribofuranoside, beta-D-Ribofuranose, tetraacetate, EINECS 235-898-5, ZINC02169837, 1,2,3,5-Tetraacetyl-beta-D-ribofuranose, beta-D-Ribofuranose 1,2,3,5-tetraacetate, ST5308611, 1,2,3,5-tetra-O-Acetyl-beta-D-ribofuranose

Molecular Formula: C13H18O9Molecular Weight: 318.276620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: IHNHAHWGVLXCCI-FDYHWXHSSA-N

• 1-Bromo-3-(Tert-Butyldimethylsiloxy)Benzene
IUPAC Name: (3-bromophenoxy)-tert-butyl-dimethylsilane | CAS Registry Number: 65423-56-5
Synonyms: (3-Bromophenoxy)(tert-butyl)dimethylsilane, ACMC-1B3KT, SureCN232409, AGN-PC-005D69, CTK5C2701, ANW-63219, AKOS015909893, AG-G-46290, 3-(tert-Butyldimethylsiloxy)bromobenzene, 3-(tert-Butyldimethylsilyloxy)bromobenzene, AK-87914, 1-Bromo-3-tert-butyldimethylsilyloxybenzene, 3-Bromophenyl tert-Butyldimethylsilyl Ether, KB-207214, FT-0607466, 1-BROMO-3-(TERT-BUTYLDIMETHYLSILOXY)BENZENE, [(3-Bromophenyl)oxy](1,1-dimethylethyl)dimethylsilane, I14-31795, Silane, (3-bromophenoxy)(1,1-dimethylethyl)dimethyl-, 1-Bromo-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-benzene

Molecular Formula: C12H19BrOSiMolecular Weight: 287.268160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BFRHMVJJJGUHDI-UHFFFAOYSA-N

• 1-Bromoperfluorohexane
IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane | CAS Registry Number: 335-56-8
Synonyms: Perfluorohexylbromide, Perfluorohexyl bromide, 1-Bromotridecafluorohexane, Tridecafluoro-1-bromohexane, 446882_ALDRICH, CID92755, EINECS 206-391-6, 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane, Hexane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-

Molecular Formula: C6BrF13Molecular Weight: 398.947442 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 13

InChIKey: JTYRBFORUCBNHJ-UHFFFAOYSA-N

• 1-Naphthaleneacethdrzide
IUPAC Name: 2-naphthalen-1-ylacetohydrazide | CAS Registry Number: 34800-90-3
Synonyms: 1-Naphthaleneacethydrazide, Maybridge4_003710, 2-(1-Naphthyl)acethydrazide, Oprea1_085221, Oprea1_346452, 2-(1-Naphthyl)acetohydrazide, alpha-NAPHTHYLACETHYDRAZIDE, ARONIS001961, NSC75880, ALBB-005287, CID253230, ZINC00099647, ST039969, 86-87-3

Molecular Formula: C12H12N2OMolecular Weight: 200.236480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FLHXVKZDKJAVMB-UHFFFAOYSA-N

• 1,1-Diphenylethanol
IUPAC Name: 1,1-diphenylethanol | CAS Registry Number: 599-67-7
Synonyms: Diphenylmethylcarbinol, Methyldiphenylcarbinol, alpha-Methylbenzhydrol, 1,1-Diphenyl-1-ethanol, Benzhydrol, .alpha.-methyl-, .alpha.-Methylbenzhydrol, NSC33, alpha-Methylbenzhydryl alcohol, 1,1-DIPHENYL ETHANOL, 152145_ALDRICH, NSC 33, Benzhydrol, alpha-methyl- (8CI), CID69031, EINECS 209-970-1, ICCB1_000119, ZINC01090568, Benzenemethanol, .alpha.-methyl-.alpha.-phenyl-, BBV-27279572, AI3-05842, Benzenemethanol, alpha-methyl-alpha-phenyl-

Molecular Formula: C14H14OMolecular Weight: 198.260360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GIMDPFBLSKQRNP-UHFFFAOYSA-N

• 1-Phenyl-2-Hexanone
IUPAC Name: 1-phenylhexan-2-one | CAS Registry Number: 25870-62-6
Synonyms: Benzyl n-butyl ketone, 1-PHENYL-2-HEXANONE, 1-Phenylhexan-2-one, 2-Hexanone, 1-phenyl-, NSC15336, CID33191, EINECS 247-306-2, ZINC01706893, AI3-24765, LT03379109

Molecular Formula: C12H16OMolecular Weight: 176.254840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DYQAZJQDLPPHNB-UHFFFAOYSA-N

• (4-Nitrobenzyl)triphenylphosphonium Bromide
IUPAC Name: (4-nitrophenyl)methyl-triphenylphosphanium bromide | CAS Registry Number: 2767-70-6
Synonyms: EINECS 220-444-0, WLN: WNR D1PR&R&R &E, NSC 104840, (p-Nitrobenzyl)triphenylphosphonium bromide, NSC104840, NSC617038, Phosphonium, (p-nitrobenzyl)triphenyl-, bromide, LS-106926, P-NITROBENZYL TRIPHENYL PHOSPHONIUM BROMIDE, Phosphonium, ((4-nitrophenyl)methyl)triphenyl-, bromide, Phosphonium, [(4-nitrophenyl)methyl]triphenyl-, bromide, Phosphonium, ((4-nitrophenyl)methyl)triphenyl-, bromide (9CI)

Molecular Formula: C25H21BrNO2PMolecular Weight: 478.317501 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IPJPTPFIJLFWLP-UHFFFAOYSA-M

• 1,12-Dodecanediol
IUPAC Name: dodecane-1,12-diol | CAS Registry Number: 5675-51-4
Synonyms: Dodecamethylene glycol, Dodecane-1,12-diol, D221309_ALDRICH, 44040_FLUKA, 1,12-DIHYDROXY DODECANE, NSC81250, EINECS 227-133-9, ZINC01574339

Molecular Formula: C12H26O2Molecular Weight: 202.333640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GHLKSLMMWAKNBM-UHFFFAOYSA-N

• 1,3-Diacetylindole
IUPAC Name: 1-(3-acetylindol-1-yl)ethanone | CAS Registry Number: 17537-64-3
Synonyms: 1,3-Diacetyl-1H-indole, 1H-Indole, 1,3-diacetyl-, NSC47179, CID87151, NSC24940, EINECS 241-532-5, ZINC00142409, 1-(1-Acetyl-1H-indol-3-yl)ethanone, D-0790, 12M-924

Molecular Formula: C12H11NO2Molecular Weight: 201.221240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: STUZJORZRZCLRI-UHFFFAOYSA-N

• 1-Chloro-7-Phenylheptane
IUPAC Name: 7-chloroheptylbenzene | CAS Registry Number: 71434-47-4
Synonyms: 1-Chloro-7-phenylheptane, 7-Phenyl-1-heptyl chloride, AG-G-79783, ST50827068, 54636-29-2, 7-chloroheptylbenzene, AC1LAWVO, (7-Chloroheptyl)benzene, SureCN6678927, Benzene, (7-chloroheptyl)-, CTK1F8479, ZINC02579148, MCULE-5789505045, FT-0607640

Molecular Formula: C13H19ClMolecular Weight: 210.742960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PNUBJDFTMKBZJK-UHFFFAOYSA-N

• 3,5-Dichloro Bromo Benzene
IUPAC Name: 1-bromo-3,5-dichlorobenzene | CAS Registry Number: 19752-55-7
Synonyms: Maybridge1_000881, 1-BROMO-3,5-DICHLOROBENZENE, Benzene, 1-bromo-3,5-dichloro-, 277789_ALDRICH, EINECS 243-270-7, ST5405843, TL8001619, SR-01000640136-1, InChI=1/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula: C6H3BrCl2Molecular Weight: 225.898020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DZHFFMWJXJBBRG-UHFFFAOYSA-N

• 1,2-Dichlorotrifluoro-1-iodoethane
IUPAC Name: 1,2-dichloro-1,1,2-trifluoro-2-iodoethane | CAS Registry Number: 354-61-0
Synonyms: EINECS 206-565-1, 1,2-Dichloro-1,1,2-trifluoro-2-iodoethane, 1,2-Dichloro-2-iodo-1,1,2-trifluoroethane, Ethane, 1,2-dichloro-1,1,2-trifluoro-2-iodo-

Molecular Formula: C2Cl2F3IMolecular Weight: 278.827080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HCUGPHQZDLROAY-UHFFFAOYSA-N

• 11-Bromo-1-Undecene
IUPAC Name: 11-bromoundec-1-ene | CAS Registry Number: 7766-50-9
Synonyms: Cristobalite, Quartz, Silica, Sand, 11-Bromo-1-undecene, SILICON DIOXIDE, 11-Bromoundec-1-ene, 18640_RIEDEL, 467642_ALDRICH, 18640_FLUKA, NSC139878, CID284148, NCGC00166054-01, LT03510542

Molecular Formula: C11H21BrMolecular Weight: 233.188440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YPLVPFUSXYSHJD-UHFFFAOYSA-N

• 1,5-Diphenylcarbohydrazide
IUPAC Name: 1,3-bis(anilino)urea | CAS Registry Number: 140-22-7
Synonyms: Diphenylcarbazide, 1,5-Diphenylcarbazide, Diphenyl carbazide, 2,5-Diphenylcarbazide, N,N'-Diphenylcarbazide, 1,5-Diphenylcabohydrazide, 2,2'-Diphenylcarbazide, Carbohydrazide, 1,5-diphenyl-, sym.-Diphenylcarbazide, SYM-DIPHENYLCARBAZIDE, DPC (VAN), 1,5-Diphenylcarbonohydrazide, 1,5-Diphenylcarbohydrazine, Carbonic dihydrazide, 2,2'-diphenyl-, 2,2'-Diphenylcarbonic dihydrazide, CBDivE_014231, D7766_SIGMA, 33152_RIEDEL, NSC 5058, 42860_FLUKA

Molecular Formula: C13H14N4OMolecular Weight: 242.276460 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: KSPIHGBHKVISFI-UHFFFAOYSA-N

• 1-(3-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
IUPAC Name: 2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one | CAS Registry Number: 90-31-3
Synonyms: Maybridge4_003722, MLS000517175, 429511_ALDRICH, EINECS 201-984-6, NSC166399, ZINC00105184, NSC 166399, SMR000343344, ST5409516, 2-Pyrazolin-5-one, 1-(m-chlorophenyl)-3-methyl-, 3H-Pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-5-methyl-, 2-Pyrazolin-5-one, 1-(m-chlorophenyl)-3-methyl- (8CI), 2-(3-Chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one

Molecular Formula: C10H9ClN2OMolecular Weight: 208.644260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RIOMUJXIGYZENC-UHFFFAOYSA-N

• (S)-1-Methyl-3-pyrrolidinol
IUPAC Name: (3S)-1-methylpyrrolidin-3-ol | CAS Registry Number: 104641-59-0
Synonyms: (S)-(+)-1-Methyl-3-pyrrolidinol, (3S)-1-methylpyrrolidin-3-ol, (S)-(+)-1-Methyl-3-hydroxypyrrolidine, (S)-3-Hydroxy-1-methylpyrrolidine, AG-D-17108, (S)-(+)-3-Hydroxy-N-methylpyrrolidine, (S)-3-HYDROXY-1-METHYL-PYRROLIDINE, 3-Pyrrolidinol, 1-methyl-, AC1LD7DM, SureCN134941, 573337_ALDRICH, Jsp000456, (3S)-1-methyl-3-pyrrolidinol, CTK3J6025, MolPort-001-768-441, ACT05086, ANW-15090, OR4625, AKOS015850701, AC-7092

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FLVFPAIGVBQGET-YFKPBYRVSA-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

• 1h,1h,12h,12h-Perfluoro-1,12-Dodecanediol
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecane-1,12-diol | CAS Registry Number: 183162-43-8
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecane-1,12-diol, 1h,1h,12h,12h-perfluorododecane-1,12-diol, 1H,1H,12H,12H-Perfluoro-1,12-dodecanediol, AC1MCQPT, CTK8E3449, MolPort-000-158-047, PC5993, 1h,1h,12h,12h-perfluorododecanediol, AKOS015911011, FT-0607801, 1h,1h,12h,12h-perfluoro-1,12-dodecandiol, A812749, 1H,1H,12H,12H-Perfluorododecane-1,12-diol 96%, I14-38683, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluorododecane-1,12-diol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosofluorododecanediol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosakis(fluoranyl)dodecane-1,12-diol

Molecular Formula: C12H6F20O2Molecular Weight: 562.142904 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 22

InChIKey: MBKZIVRAOJBYDI-UHFFFAOYSA-N

• 1-(4-Chlorophenyl)ethanol
IUPAC Name: 1-(4-chlorophenyl)ethanol | CAS Registry Number: 3391-10-4
Synonyms: alpha-(p-Chlorophenyl)ethanol, 1-(P-CHLOROPHENYL)ETHANOL, 147559_ALDRICH, .alpha.-(p-Chlorophenyl)ethanol, Benzyl alcohol, p-chloro-.alpha.-methyl-, p-Chloro-alpha-methylbenzyl alcohol, 4-Chloro-alpha-methylbenzyl alcohol, Benzenemethanol, 4-chloro-.alpha.-methyl-, NSC87867, EINECS 222-223-4, NSC 87867, p-Chloro-.alpha.-methylbenzyl alcohol, Benzenemethanol, 4-chloro-alpha-methyl-, AI3-02463, ST5409750, Benzyl alcohol, p-chloro-alpha-methyl- (8CI), 75968-35-3

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MVOSNPUNXINWAD-UHFFFAOYSA-N

• 1H-6-Bromoperfluorohexane
IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane | CAS Registry Number: 355-36-2
Synonyms: 1H-6-Bromoperfluorohexane, tech., 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane, AC1MC5ER, CHEMBL455505, CTK8F3344, MolPort-001-772-038, PC1533, AKOS016015386, AG-F-23056, FT-0607869, A822852, I14-110728, 1-bromanyl-1,1,2,2,3,3,4,4,5,5,6,6-dodecakis(fluoranyl)hexane, 1H-6-BROMOPERFLUOROHEXANE;6-BROMO-1H-PERFLUOROHEXANE;6H-Perfluorohexyl bromide;F01633 s. dort 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluor;F0633 s. dort 1H,6-Bromoperfluorohexane [6H-Perfluorohexylbromide];1H-6-Bromoperfluorohexane, tech.;1H-6-Bromoperfluorohexane,tech.90%

Molecular Formula: C6HBrF12Molecular Weight: 380.956978 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 12

InChIKey: POJDLLAQCVDMMK-UHFFFAOYSA-N

• 1,3-Di-2-Thienyl-2-Propen-1-One
IUPAC Name: (E)-1,3-dithiophen-2-ylprop-2-en-1-one | CAS Registry Number: 2309-48-0
Synonyms: ARONIS003543, 1,3-Dithienyl-2-propen-1-one, CHEBI:237997, NSC54863, EINECS 218-993-6, STK023253, ZINC03864891, 1,3-Di-2-thienyl-2-propen-1-one, (E)-1,3-Di-thiophen-2-yl-propenone, CID5463038, 1,3-di-(2-Thienyl)-2-propen-1-one, (2E)-1,3-di(2-thienyl)-2-propen-1-one, (2E)-1,3-di(thiophen-2-yl)prop-2-en-1-one, T0400-1383

Molecular Formula: C11H8OS2Molecular Weight: 220.310620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WCAGHDMFZMUUPQ-AATRIKPKSA-N

• 1,2-Octanediol
IUPAC Name: octane-1,2-diol | CAS Registry Number: 1117-86-8
Synonyms: 1,2-Dihydroxyoctane, 1,2-OCTANEDIOL, 1,2-Octylene glycol, octane-1,2-diol, NCIOpen2_000498, 213705_ALDRICH, CHEBI:34056, AIDS017556, AIDS-017556, NSC71546, EINECS 214-254-7, NSC 71546, AI3-13058, C14273, 87720-89-6

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

InChIKey: AEIJTFQOBWATKX-UHFFFAOYSA-N

• 3,5-Bis(trifluoromethyl)iodobenzene
IUPAC Name: 1-iodo-3,5-bis(trifluoromethyl)benzene | CAS Registry Number: 328-73-4
Synonyms: 1-Iodo-3,5-bis(trifluoromethyl)benzene, 1,3-bis(trifluoromethyl)-5-iodobenzene, 3,5-Bis(trifluoromethyl)-1-iodo benzene, SBB006562, 1-iodo-3,5-di(trifluoromethyl)benzene, 3-5-di(Trifluoromethyl)iodobenzene, PubChem1056, AC1LCIBS, ACMC-209hwp, MBT-I, AC1Q4IXB, AKOS AKM01147, 366706_ALDRICH, CTK3J5382, TIMTEC-BB SBB006562, ATTERCOP-CHM AT115843, MolPort-000-144-329, ACT12564, ANW-27479, ZINC02168461

Molecular Formula: C8H3F6IMolecular Weight: 340.004309 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VDPIZIZDKPFXLI-UHFFFAOYSA-N

• 4-Bromo Ethyl Benzene
IUPAC Name: 1-bromo-4-ethylbenzene | CAS Registry Number: 1585-07-5
Synonyms: p-Bromoethylbenzene, p-Ethylbromobenzene, 4-Ethylbromobenzene, Benzene, 1-bromo-4-ethyl-, 1-BROMO-4-ETHYLBENZENE, 111414_ALDRICH, NSC60144, CID15313, EINECS 216-439-8, NSC 60144, ST5406251, InChI=1/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: URFPRAHGGBYNPW-UHFFFAOYSA-N

• 1,3-Di-N-Octyl-1,1,3,3-Tetraethoxydisiloxane
IUPAC Name: [diethoxy(octyl)silyl]oxy-diethoxy-octylsilane | CAS Registry Number: 26496-09-3
Synonyms: 1,3-DI-N-OCTYL-1,1,3,3-TETRAETHOXYDISILOXANE, Bis(diethoxyoctyl)siloxane, AC1O51ZS, SCHEMBL49788, JWNGMUHMPYEAPE-UHFFFAOYSA-N, 1,1,3,3-tetraethoxy-1,3-dioctyldisiloxane, FT-0606702, [diethoxy(octyl)silyl]oxy-diethoxy-octylsilane

Molecular Formula: C24H54O5Si2Molecular Weight: 478.853560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: JWNGMUHMPYEAPE-UHFFFAOYSA-N

• 1h,1h,2h,3h,3h-Perfluoroundecan-1,2-Diol
IUPAC Name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecane-1,2-diol | CAS Registry Number: 94159-84-9
Synonyms: EINECS 303-265-3, CID2776406, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecane-1,2-diol

Molecular Formula: C11H7F17O2Molecular Weight: 494.144934 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 19

InChIKey: CGRIOEGIXRPCJU-UHFFFAOYSA-N

• (+)-6-Methoxy-Alpha-Methyl-2-Naphthaleneacetic Acid
IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | CAS Registry Number: 22204-53-1
Synonyms: NAPROXEN, Equiproxen, Laraflex, Calosen, Reuxen, Bonyl, Axer, d-Naproxen, Novonaprox, Rheumaflex, Saritilron, Acusprain, Anexopen, Arthrisil, Artrixen, Artroxen, Bipronyl, Clinosyn, Danaprox, Flexipen

Molecular Formula: C14H14O3Molecular Weight: 230.259160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CMWTZPSULFXXJA-VIFPVBQESA-N

• 1,8-Bis(dimethylamino)naphthalene
IUPAC Name: 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine | CAS Registry Number: 20734-58-1
Synonyms: Proton-sponge, Maybridge1_002116, MLS000851090, 158496_ALDRICH, 14795_FLUKA, 1,8-Bis(dimethylamino)naphtalene, EINECS 244-001-6, BTB 09871, ZINC00056476, 1,8-Naphthalenediamine, N,N,N',N'-tetramethyl-, SMR000457333, N,N,N',N'-Tetramethylnaphthalene-1,8-diamine, AI3-62472, N,N,N',N'-Tetramethyl-1,8-naphthalenediamine, N1,N1,N8,N8-tetramethylnaphthalene-1,8-diamine, SR-01000638069-1, InChI=1/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H

Molecular Formula: C14H18N2Molecular Weight: 214.306120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GJFNRSDCSTVPCJ-UHFFFAOYSA-N

• 12-Tricosanone
IUPAC Name: tricosan-12-one | CAS Registry Number: 540-09-0
Synonyms: Diundecyl ketone, Undecyl ketone, Laurone, Lauron, Di-n-undecyl ketone, 12-TRICOSANONE, Lauron (VAN), NSC 2200, EINECS 208-735-0, NSC2200, CID10888, BRN 1789685, AI3-11254, LS-157042, 4-01-00-03408 (Beilstein Handbook Reference)

Molecular Formula: C23H46OMolecular Weight: 338.610740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VARQGBHBYZTYLJ-UHFFFAOYSA-N

• 1 4-Cyclohexanediol
IUPAC Name: cyclohexane-1,4-diol | CAS Registry Number: 556-48-9
Synonyms: Quinitol, 1,4-CYCLOHEXANEDIOL, Hexahydrohydroquinone, trans-1,4-Cyclohexanediol, cis-1,4-Cyclohexanediol, 1,4-Cyclohexanediol, trans-, 1,4-Cyclohexanediol, cis-, Cyclohexane-1,4-diol, trans-1,4-Dihydroxycyclohexane, C101206_ALDRICH, 29040_FLUKA, NSC5651, NSC5730, AIDS017552, AIDS-017552, CID11162, NSC 5730, EINECS 209-126-2, EINECS 213-240-8, 1,4-CYCLOHEXANEDIOL (Cis-trans)

Molecular Formula: C6H12O2Molecular Weight: 116.158280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VKONPUDBRVKQLM-UHFFFAOYSA-N

• 1-methyl-1H-pyrrole-2-carboxylic acid
IUPAC Name: 1-methylpyrrole-2-carboxylic acid | CAS Registry Number: 6973-60-0
Synonyms: N-Methylpyrrole-2-carboxylic acid, 153141_ALDRICH, 1-Methyl-2-pyrrolecarboxylic acid, 1H-Pyrrole-2-carboxylic acid, 1-methyl-, NSC40289, 1-Methyl-1H-pyrrole-2-carboxylic acid, EINECS 230-217-8, SBB004270, N-METHYL PYRROLE-2-CARBOXYLIC ACID, AI-942/25034255, InChI=1/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9

Molecular Formula: C6H7NO2Molecular Weight: 125.125280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ILAOVOOZLVGAJF-UHFFFAOYSA-N

• 1h,1h,2h,2h-Perfluorodecyltriethoxysilane
IUPAC Name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane | CAS Registry Number: 101947-16-4
Synonyms: 658758_ALDRICH, 1H,1H,2H,2H-Perfluorodecyltriethoxysilane, CID145374, Triethoxy-1H,1H,2H,2H-perfluorodecylsilane

Molecular Formula: C16H19F17O3SiMolecular Weight: 610.378614 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 20

InChIKey: MLXDKRSDUJLNAB-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

• 1-Phenyl-1,2,3-Butanetrione 2-Oxime
IUPAC Name: (2E)-2-hydroxyimino-1-phenylbutane-1,3-dione | CAS Registry Number: 6797-44-0
Synonyms: 3-Isonitrosobenzoylacetone, EINECS 229-869-6, ZINC04795424, CID9576558, 1,2,3-Butanetrione, 1-phenyl-, 2-oxime, 1-Phenylbutane-1,2,3-trione 2-oxime, AI3-52395, LT00454931

Molecular Formula: C10H9NO3Molecular Weight: 191.183360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JVPIIQSFMRUIAP-PKNBQFBNSA-N

• 1-Pyrenebutyric acid
IUPAC Name: 4-pyren-1-ylbutanoic acid | CAS Registry Number: 3443-45-6
Synonyms: 1-Pyrenebutyrate, 1-Pyrenebutanoic acid, Pyrenebutanoic acid, 1-Pyrenylbutyric acid, Pyrene-3-butyric acid, Pyrene-1-butyric acid, ChemDiv3_000296, 4-(1-Pyrenyl)butyric acid, Oprea1_319328, MLS001181994, gamma-(3-Pyrenyl)butyric acid, 257354_ALDRICH, .gamma.-(3-Pyrenyl)butyric acid, NSC30833, EINECS 222-354-7, JFD 01560, NSC 30833, IDI1_019614, NCGC00176366-01, SMR000567713

Molecular Formula: C20H16O2Molecular Weight: 288.339840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QXYRRCOJHNZVDJ-UHFFFAOYSA-N

• 1-(4'-Chlorobenzenesulfonyl)-3,3-dimethylbutane-2-one
IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3,3-dimethylbutan-2-one | CAS Registry Number: 207974-06-9
Synonyms: SBB061851, 1-(4-Chlorobenzenesulfonyl)-3,3-dimethylbutan-2-one, 1-[(4-chlorophenyl)sulfonyl]-3,3-dimethylbutan-2-one, ZINC00085648, AC1LBZIR, SureCN2028598, CTK4E5132, MolPort-000-152-711, HMS1667M06, AKOS005110624, AG-E-52671, MCULE-2997910404, KB-89786, KB-147201, FT-0605673, ST50408108, A814907, 1-(4-chlorophenyl)sulfonyl-3,3-dimethyl-2-butanone, 1-(4-chlorophenyl)sulfonyl-3,3-dimethylbutan-2-one, 1-(4-Chlorobenzenesulfonyl)-3,3-dimethylbutane-2-one

Molecular Formula: C12H15ClO3SMolecular Weight: 274.763700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XTIUXIMZIKBBSU-UHFFFAOYSA-N

• 11-Heneicosanone
IUPAC Name: henicosan-11-one | CAS Registry Number: 19781-72-7
Synonyms: di-n-Decyl ketone, Henicosan-11-one, 11-HENEICOSANONE, NSC93984, CID29776, EINECS 243-307-7, LT03382555

Molecular Formula: C21H42OMolecular Weight: 310.557580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DOACSXJVHDTDSG-UHFFFAOYSA-N

• 1,5-Dihydroxy Anthraquinone
IUPAC Name: 1,5-dihydroxyanthracene-9,10-dione | CAS Registry Number: 117-12-4
Synonyms: Anthrarufin, Anthraquinone, 1,5-dihydroxy-, 1,5-DIHYDROXYANTHRAQUINONE, 1,5-Dihydroxyanthrachinon, 1,5-Dihydroxy-9,10-anthraquinone, CCRIS 3150, 9,10-Anthracenedione, 1,5-dihydroxy-, NSC7211, 340014_ALDRICH, 1,5-Dihydroxyanthrachinon [Czech], NSC 7211, CHEBI:37501, EINECS 204-175-6, 1,5-Dihydroxy-9,10-anthracenedione, NSC646570, AIDS001376, BB_NC-0492, NSC 646570, AIDS-001376, BRN 1881718

Molecular Formula: C14H8O4Molecular Weight: 240.210920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JPICKYUTICNNNJ-UHFFFAOYSA-N

• (2-Butyl)Triphenylphosphonium Bromide
IUPAC Name: butan-2-yl(triphenyl)phosphanium bromide | CAS Registry Number: 3968-92-1
Synonyms: sec-Butyltriphenylphosphonium bromide, NSC85863, EINECS 223-587-7, CID3083826, Phosphonium, sec-butyltriphenyl- bromide, ST5408740

Molecular Formula: C22H24BrPMolecular Weight: 399.303721 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HKWAYXKPYJOYEL-UHFFFAOYSA-M

• 3-Hydroxy-2,2-Dimethylpropanoic Acid
IUPAC Name: 3-hydroxy-2,2-dimethylpropanoic acid | CAS Registry Number: 4835-90-9
Synonyms: Hydroxypivalic acid, 3-Hydroxypivalic acid, Propanoic acid, 3-hydroxy-2,2-dimethyl-, CID78548, EINECS 225-419-8, NSC115936, 3-Hydroxy-2,2-dimethylpropanoic acid, NSC 115936, AQ-917/40987623

Molecular Formula: C5H10O3Molecular Weight: 118.131100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RDFQSFOGKVZWKF-UHFFFAOYSA-N

• 1,3-Dithiolane-1,1,3,3-Tetraoxide
IUPAC Name: 1,3-dithiolane 1,1,3,3-tetraoxide | CAS Registry Number: 26413-19-4
Synonyms: NSC227851, 1,3-Dithiolane-1,1,3,3-tetraoxide, CID313476, ZINC01757802, LT00455810

Molecular Formula: C3H6O4S2Molecular Weight: 170.207340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DQLOTKZORORBPO-UHFFFAOYSA-N

• 1-Phenylcyclohexanol
IUPAC Name: 1-phenylcyclohexan-1-ol | CAS Registry Number: 1589-60-2
Synonyms: 1-Phenylcyclohexanol-1, 1-Phenyl-1-cyclohexanol, Maybridge1_002485, CYCLOHEXANOL, 1-PHENYL-, DivK1c_001237, NSC21999, EINECS 216-456-0, NSC 21999, CID15319, BRN 1818360, ZINC01589687, AI3-13205, BBV-181881, CDS1_000197, LS-57223, 4-06-00-03908 (Beilstein Handbook Reference)

Molecular Formula: C12H16OMolecular Weight: 176.254840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DTTDXHDYTWQDCS-UHFFFAOYSA-N

• 1,4-Dimethoxybenzene
IUPAC Name: 1,4-dimethoxybenzene | CAS Registry Number: 150-78-7
Synonyms: p-Dimethoxybenzene, p-Methoxyanisole, Benzene, p-dimethoxy-, Benzene, 1,4-dimethoxy-, Quinol dimethyl ether, Dimethyl hydroquinone, 1,4-Dimethoxybenzol, Anisole, p-methoxy-, Dimethylhydroquinone, Dimethylhydroquinone ether, Dimethyl ether hydroquinone, USAF AN-9, USAF uctl-1791, HYDROQUINONE DIMETHYL ETHER, Dimethylolbenzimidazolon, Hydroquinone, dimethyl ether, Methyl p-methoxyphenyl ether, FEMA No. 2386, CCRIS 5920, WLN: 1OR DO1

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OHBQPCCCRFSCAX-UHFFFAOYSA-N

• (1-0ctyl)trimethylammonium bromide
IUPAC Name: trimethyl(octyl)azanium bromide | CAS Registry Number: 2083-68-3
Synonyms: Octalone, Octyltrimethylammonium bromide, n-Octyltrimethylammonium bromide, Trimethyloctylammonium bromide, Octyl-trimethyl-ammonium bromide, 75091_FLUKA, Ammonium, trimethyloctyl-, bromide, NSC97247, N,N,N-Trimethyl-1-octanaminium bromide, Trimethyloctylammonium bromide (6CI,7CI), 1-Octanaminium, N,N,N-trimethyl-, bromide, LS-97841, Ammonium, trimethyloctyl-, bromide (8CI), 15461-38-8

Molecular Formula: C11H26BrNMolecular Weight: 252.234840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XCOHAFVJQZPUKF-UHFFFAOYSA-M

• 1-Bromo-2-(2-Methoxyethoxy)ethane
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

• 1-Dodecane Sulphonic Acid Sodium Salt
IUPAC Name: dodecane-1-sulfonic acid | CAS Registry Number: 2386-53-0
Synonyms: Dodecylsulfonate, Dodecylsulfonic acid, 1-DODECANESULFONIC ACID, Dodecane-1-sulphonic acid, DODECANESULFONATE ION, NSC238164, AIDS159886, AIDS-159886, CID15192, NSC29062, EINECS 216-146-5, NSC 29062, NSC 238164, Benzenemethanaminium, N-(C12-C16-alkyl)-N,N-dimethyl-, 1-dodecanesulfonate, 3300-34-3, DSC, 1510-16-3

Molecular Formula: C12H26O3SMolecular Weight: 250.398040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LDMOEFOXLIZJOW-UHFFFAOYSA-N

• (4-Pyridylthio)acetic acid
IUPAC Name: 2-pyridin-4-ylsulfanylacetic acid | CAS Registry Number: 10351-19-6
Synonyms: 4-Pyridylthioacetic acid, 4-Pyridylmercaptoacetic acid, (4-Pyridinylthio)acetic acid, 183237_ALDRICH, Acetic acid, (4-pyridinylthio)-, .alpha.-(4-Pyridylthio)acetic acid, EINECS 233-765-6, ST5308562, TL8000152

Molecular Formula: C7H7NO2SMolecular Weight: 169.200980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PGUPJAPHYIEKLT-UHFFFAOYSA-N

• (+)-N-Formyl-D-Tert-Leucine
IUPAC Name: (2R)-2-formamido-3,3-dimethylbutanoic acid | CAS Registry Number: 92571-59-0
Synonyms: CTK5H1413, (+)-N-FORMYL-D-TERT-LEUCINE, AKOS006237603, AG-H-79226, FT-0604431, I14-115424

Molecular Formula: C7H13NO3Molecular Weight: 159.183020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WVCGTXBZDLZEDU-YFKPBYRVSA-N


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