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Shanghai Chemhere Co., Ltd.

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Profile: Shanghai Chemhere Co., Ltd. deals with lab reagent, fine chemicals and active pharmaceutical ingredients. We develop catalysts and key reagents for laboratories. Our chemicals are used in research institutes and universities. We also offer custom synthesis in both research and development scale.

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• Zinc-2-Mercaptobenzothiazole
IUPAC Name: zinc 1,3-benzothiazole-2-thiolate | CAS Registry Number: 155-04-4
Synonyms: Bantex, Zenite, Zetax, Zenite special, Vulkacit ZM, Hermat Zn-mbt, Pennac ZT, ZnMB, Tisperse MB-58, OXAF, ZMBT, Caswell No. 917, Zinc benzothiazolethiolate, USAF GY-7, Zinc mercaptobenzothiazolate, Zinc 2-benzothiazolethiolate, Zinc 2-mercaptobenzothiazole, Zinc benzothiazolylmercaptide, Zinc benzothiazolyl mercaptide, 2-Mercaptobenzothiazole, zinc

Molecular Formula: C14H8N2S4ZnMolecular Weight: 397.895720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PGNWIWKMXVDXHP-UHFFFAOYSA-L

• Zirconium Ammonium Fluoride
IUPAC Name: diazanium;hexafluorozirconium(2-) | CAS Registry Number: 16919-31-6
Synonyms: Ammonium hexafluorozirconate, Jsp003432, MolPort-006-122-054, RL02172, P039

Molecular Formula: F6H8N2ZrMolecular Weight: 241.291339 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: LPFRXGDQGULMEN-UHFFFAOYSA-J

• Zirconium Naphthenate
IUPAC Name: naphthalene-1-carboxylic acid;zirconium | CAS Registry Number: 72854-21-8
Synonyms: Zirconiumnaphthenate, Zirconium naphthenate, O947

Molecular Formula: C44H32O8ZrMolecular Weight: 779.944080 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: IPWHFHKSGYXXLG-UHFFFAOYSA-N

• Zirconium Octoate
IUPAC Name: 2-ethylhexanoate; zirconium(2+) | CAS Registry Number: 22464-99-9
Synonyms: zirconium(2+) bis(2-ethylhexanoate), Hexanoic acid, 2-ethyl-, zirconium salt

Molecular Formula: C16H30O4ZrMolecular Weight: 377.631000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RIYRDRZNXDRTIL-UHFFFAOYSA-L

• Zirconocene Dichloride
IUPAC Name: cyclopenta-1,3-diene; dichlorozirconium | CAS Registry Number: 1291-32-3
Synonyms: Cl2 zirconocene, AIDS001314, AIDS-001314, Dichloro-bis(.eta.^5-2,4-cyclopentadiene-1-yl)zirconium, Zirconium, dichlorobis(.eta.^5-2,4-cyclopentadien-1-yl)-

Molecular Formula: C10H10Cl2Zr-2Molecular Weight: 292.316400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OUGHJMMORHUQBY-UHFFFAOYSA-L

• Zofenopril Calcium
IUPAC Name: calcium (2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylate | CAS Registry Number: 81938-43-4
Synonyms: Zoprace, ZOFENOPRIL CALCIUM, Zoprace (TN), Zofenopril calcium (USAN), Zofenopril calcium [USAN], CID3033690, D03767, (4S)-N-((S)-3-Mercapto-2-methylpropionyl)-4-(phenylthio)-L-proline benzoate (ester), calcium salt, L-Proline, 1-(3-(benzoylthio)-2-methyl-1-oxopropyl)-4-(phenylthio)-, calcium salt, (1(R*),2alpha,4alpha)-

Molecular Formula: C44H44CaN2O8S4Molecular Weight: 897.166760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: NSYUKKYYVFVMST-LETVYOFWSA-L

• Zolpidem Tartrate
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide; N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide | CAS Registry Number: 99294-93-6
Synonyms: Ambien, Ambien (TN), ZOLPIDEM TARTRATE, Zolpidem tartrate (JAN/USAN), D00706

Molecular Formula: C42H48N6O8Molecular Weight: 764.865920 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: VXRDAMSNTXUHFX-CEAXSRTFSA-N

• 4-Amino-2-Chloro-6,7-Dimethoxy Quinazoline
IUPAC Name: 2-chloro-6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 23680-84-4
Synonyms: 518654_ALDRICH, 4-Amino-2-chloro-6,7-dimethoxyquinazoline, ZINC02028665, ALBB-005949, CID90235, EINECS 245-821-7, SBB000787, 2-Chloro-6,7-dimethoxy-4-quinazolinamine, 2-Chloro-6,7-dimethoxyquinazolin-4-amine, 4-Quinazolinamine, 2-chloro-6,7-dimethoxy-, 2-chloro-6,7-dimethoxyquinazolin-4-ylamine, TL8001956, AN-829/25042011

Molecular Formula: C10H10ClN3O2Molecular Weight: 239.658300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HWIIAAVGRHKSOJ-UHFFFAOYSA-N

• 7-ACA
IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 957-68-6
Synonyms: Prestwick_714, 7-Aminocephalosporanic acid, Prestwick0_000424, Prestwick1_000424, Prestwick2_000424, Prestwick3_000424, 7-Aminocephalosporinic acid, BSPBio_000408, Cephalosporanic acid, 7-amino, (7R)-7-Aminocephalosporanate, SPBio_002347, 191140_ALDRICH, BPBio1_000450, 07300_FLUKA, AIDS196416, AIDS-196416, SMP2_000203, NCGC00179570-01, C07756, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6R,7R)-

Molecular Formula: C10H12N2O5SMolecular Weight: 272.277680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HSHGZXNAXBPPDL-HZGVNTEJSA-N

• (+)-Pseudoephedrine sulfate
IUPAC Name: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol; sulfuric acid | CAS Registry Number: 7460-12-0
Synonyms: Afrinol, Afrinol (TN), Pseudoephedrine sulfate, Pseudoephedrine sulfate (USP), D05649

Molecular Formula: C20H32N2O6SMolecular Weight: 428.542880 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: CAVQBDOACNULDN-NRCOEFLKSA-N

• 4-Methoxy Cinnamic Acid
IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid | CAS Registry Number: 830-09-1
Synonyms: 4-Methoxycinnamic acid, Bernel hydro, 4-Methoxycinnamate, trans-4-Methoxycinnamic acid, P-METHOXYCINNAMIC ACID, p-MCA, Cinnamic acid, p-methoxy-, Cinnamic acid, 4-methoxy-, O-Methyl-p-coumaric acid, (E)-p-Methoxycinnamic acid, M13807_ALDRICH, METHOXYCINNAMIC ACID, PARA, ARONIS000351, 2-Propenoic acid, 3-(4-methoxyphenyl)-, NSC 5303, 3-(4-Methoxyphenyl)-2-propenoic acid, 3-(4-methoxyphenyl)acrylic acid, 65420_FLUKA, CHEBI:48541, EINECS 212-594-0

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AFDXODALSZRGIH-QPJJXVBHSA-N

• 2-Phenylbutyric acid
IUPAC Name: 2-phenylbutanoic acid | CAS Registry Number: 90-27-7
Synonyms: 2-Phenylbutanoic acid, Butyric acid, 2-phenyl-, alpha-Ethylphenylacetic acid, alpha-Phenylbutyric acid, alpha-Phenyl butyric acid, Spectrum_001673, SpecPlus_000897, Spectrum2_000510, Spectrum3_001664, Spectrum4_000626, Spectrum5_001396, ()-2-Phenylbutyric acid, .alpha.-Phenylbutyric acid, Benzeneacetic acid, alpha-ethyl-, A-PHENYLBUTYRIC ACID, WLN: QVY2&R, .alpha.-Phenyl butyric acid, BSPBio_003447, KBioGR_001212, KBioSS_002153

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OFJWFSNDPCAWDK-UHFFFAOYSA-N

• 2-(4-Methyl Phenyl) Propionic Acid
IUPAC Name: 2-(4-methylphenyl)propanoic acid | CAS Registry Number: 938-94-3
Synonyms: 2-(4-Methylphenyl)propanoic acid, 2-(p-Tolyl)propanoic acid, 2-(4-Tolyl)propanoic acid, 522449_ALDRICH, alpha,4-Dimethylphenylacetic acid, alpha,4-Dimethylbenzeneacetic acid, Propanoic acid, 2-(4-methylphenyl), Benzeneacetic acid, alpha,4-dimethyl-, ST5405802

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KDYOFXPLHVSIHS-UHFFFAOYSA-N

• (E)-4-Phenyl-3-Buten-2-One
IUPAC Name: (E)-4-phenylbut-3-en-2-one | CAS Registry Number: 1896-62-4
Synonyms: Benzalacetone, Benzylideneacetone, Acetocinnamone, Methyl styryl ketone, 4-Phenylbutenone, Benzalaceton, trans-Benzalacetone, Benzylidene acetone, Benzilideneacetone, Styryl methyl ketone, Benzilidene acetone, TPBO, Ketone, methyl styryl, 3-Buten-2-one, 4-phenyl-, Benzalaceton [German], trans-Benzylidenacetone, trans-Benzylideneacetone, Methyl styryl acetone, Methyl trans-styryl ketone, t-PBO

Molecular Formula: C10H10OMolecular Weight: 146.185800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BWHOZHOGCMHOBV-BQYQJAHWSA-N

• 4-(n-Methyl-n-chloroethyl)amino benzaldehyde
IUPAC Name: 4-[2-chloroethyl(methyl)amino]benzaldehyde | CAS Registry Number: 94-31-5
Synonyms: EINECS 202-321-3, p-((2-Chloroethyl)methylamino)benzaldehyde, 4-((2-Chloroethyl)methylamino)benzaldehyde, Benzaldehyde, 4-((2-chloroethyl)methylamino)-

Molecular Formula: C10H12ClNOMolecular Weight: 197.661380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IYFULQJDHJGQKQ-UHFFFAOYSA-N

• 1,8-Diamino Naphthalene
IUPAC Name: naphthalene-1,8-diamine | CAS Registry Number: 479-27-6
Synonyms: 1,8-Naphthalenediamine, Naphthalene-1,8-diamine, 1,8-Diaminonaphthalene, 1,8-Naphthylenediamine, D21405_ALDRICH, NSC 6081, 33170_FLUKA, 33180_FLUKA, EINECS 207-529-8, NSC6081, ZINC00388487, 1,8-NAPHTHYLENEDIAMINE, TECH, AI3-03804, LS-167531, InChI=1/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YFOOEYJGMMJJLS-UHFFFAOYSA-N

• 2',5'-Dimethoxy acetophenone
IUPAC Name: 1-(2,5-dimethoxyphenyl)ethanone | CAS Registry Number: 1201-38-3
Synonyms: 2',5'-Dimethoxyacetophenone, 2,5-Dimethoxyacetophenone, Acetophenone, 2',5'-dimethoxy-, Ethanone, 1-(2,5-dimethoxyphenyl)-, D129607_ALDRICH, D2056_SIGMA, 2-Acetyl-1,4-dimethoxybenzene, NSC62094, CID70991, EINECS 214-858-0, NSC 62094, ZINC00164090, Acetophenone, 2',5'-dimethoxy- (8CI), ST5214448, InChI=1/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FAXUIYJKGGUCBO-UHFFFAOYSA-N

• 4-Hydroxyphenyl Butanone
IUPAC Name: 1-(4-hydroxyphenyl)butan-1-one | CAS Registry Number: 1009-11-6
Synonyms: p-Butyrylphenol, 4-Butyrylphenol, p-Hydroxybutyrophenone, 4-Hydroxybutyrophenone, Butyrophenone, 4'-hydroxy-, 4'-Hydroxybutyrophenone, ChemDiv2_002250, 1-Butanone, 1-(4-hydroxyphenyl)-, p-Hydroxyphenyl propyl ketone, ZERO/000922, NSC17548, Butyrophenone, 4'-hydroxy- (8CI), EINECS 213-766-8, NSC 17548, ZINC00078215

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GFBLPULLSAPXDC-UHFFFAOYSA-N

• (3,4-Dimethoxyphenyl)Acetyl Chloride
IUPAC Name: 2-(3,4-dimethoxyphenyl)acetyl chloride | CAS Registry Number: 10313-60-7
Synonyms: (3,4-Dimethoxyphenyl)acetyl chloride, Homoveratryl chloride, ACMC-20apop, AC1MTMJV, 2-(3,4-dimethoxyphenyl)acetyl Chloride, AC1Q46TD, 237477_ALDRICH, CTK4A1763, AKOS005215788, Benzeneacetyl chloride,3,4-dimethoxy-, AG-A-03504, AG-D-13425, 2-(3,4-dimethoxyphenyl)-acetyl chloride, FT-0604683, I14-36193, 3,4-Dimethoxyphenacetyl chloride;Homoveratric acid chloride;Homoveratroyl chloride;3,4-Dimethoxybenzeneacetyl chloride;(3,4-Dimethoxyphenyl)acetyl chloride;Acetyl chloride,(3,4-dimethoxyphenyl)- (7CI,8CI);

Molecular Formula: C10H11ClO3Molecular Weight: 214.645540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QBJIMTPENIGDOG-UHFFFAOYSA-N

• 4-Methoxy Propiophenone
IUPAC Name: 1-(4-methoxyphenyl)propan-1-one | CAS Registry Number: 121-97-1
Synonyms: p-Methoxypropiophenone, 4'-Methoxypropiophenone, Propiophenone, 4'-methoxy-, Ethyl 4-methoxyphenyl ketone, 1-Propanone, 1-(4-methoxyphenyl)-, ghl.PD_Mitscher_leg0.581, M24809_ALDRICH, 1-(4-Methoxyphenyl)-1-propanone, 1-(4-methoxyphenyl)propan-1-one, NSC11834, EINECS 204-512-7, Propiophenone, 4'-methoxy- (8CI), NSC 11834, ZINC00330146, AI3-04094, ST5406149, AB-131/40236160, InChI=1/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZJVAWPKTWVFKHG-UHFFFAOYSA-N

• 2-Bromo-2',5'-Dimethoxyacetophenone
IUPAC Name: 2-bromo-1-(2,5-dimethoxyphenyl)ethanone | CAS Registry Number: 1204-21-3
Synonyms: 2,5-Dimethoxyphenacyl bromide, 104582_ALDRICH, EINECS 214-873-2, ZINC02003732, 2-Bromo-2',5'-dimethoxyacetophenone, Bromomethyl 2,5-dimethoxyphenyl ketone, CID70997, a-bromo-2',5'-dimethoxyacetophenone, alpha-Bromo-2',5'-dimethoxyacetophenone, Ethanone, 2-bromo-1-(2,5-dimethoxyphenyl)-, 1-[2,5-bis(methyloxy)phenyl]-2-bromoethanone, 2-Bromo-1-(2,5-dimethoxyphenyl)ethanone, LS-184909, ST5117055, .alpha.-Bromo-2',5'-dimethoxy acetophenone

Molecular Formula: C10H11BrO3Molecular Weight: 259.096540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RGQNFYVSEWDUEI-UHFFFAOYSA-N

• 2-(4-Fluorophenyl)-pyrrolidine
IUPAC Name: 2-(4-fluorophenyl)pyrrolidine | CAS Registry Number: 72216-06-9
Synonyms: 2-(4-Fluorophenyl)pyrrolidine, Oprea1_475262, 2AAX-Q05-0, TL8005053

Molecular Formula: C10H12FNMolecular Weight: 165.207383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZDCXMSDSTZZWAX-UHFFFAOYSA-N

• 2-Naphthylhydrazine hydrochloride
IUPAC Name: naphthalen-2-ylhydrazine hydrochloride | CAS Registry Number: 2243-58-5
Synonyms: Ambap1311, NSC5528, NSC5715, CID519950, TL8001880

Molecular Formula: C10H11ClN2Molecular Weight: 194.660740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: OXOQKRNEPBHINU-UHFFFAOYSA-N

• 2,2,4-Trimethyl-1,2-dihydroquinoline, polymerized
IUPAC Name: 2,2,4-trimethyl-1H-quinoline | CAS Registry Number: 26780-96-1
Synonyms: Acetone anil, Acetonanil, Flectol H, Antioxidant HS, Antioxidant HSL, Acetonanyl, Agerite resin D, Flectol A, Flectol pastilles, Permanax TQ, Polnoks R, Antigene RDF, Agerite MA, Nonflex RD, Polnox R, vulkanox hs, Vulkanox HS/LG, Permanax 45, Vulkanox HS/powder, Flectol H, polymer

Molecular Formula: C12H15NMolecular Weight: 173.254200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZNRLMGFXSPUZNR-UHFFFAOYSA-N

• 2,3-Dimethyl-5-nitroindole
IUPAC Name: 2,3-dimethyl-5-nitro-1H-indole | CAS Registry Number: 21296-94-6
Synonyms: Oprea1_859180, CBDivE_000081, 2,3-Dimethyl-5-nitro-1H-indole, ARONIS001280, NSC84204, CID88860, EINECS 244-321-6, NSC 84204, ZINC00184761, BAS 00547420, ST5233944, D-5470

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LKIMRQIKTONPER-UHFFFAOYSA-N

• 2,4-Dihydroxy-6,7-Dimethoxyquinazoline
IUPAC Name: 6,7-dimethoxy-1H-quinazoline-2,4-dione | CAS Registry Number: 28888-44-0
Synonyms: Oprea1_517280, 329258_ALDRICH, 6,7-Dimethoxyquinazoline-2,4-dione, BB_NC-0679, EINECS 249-288-1, 6,7-Dimethoxy-2,4-quinazolinedione, CID120081, ZINC00120622, NCGC00160264-01, 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione, ST5307686, TL8002279, 6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione

Molecular Formula: C10H10N2O4Molecular Weight: 222.197400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KWNQIIMVPSMYEM-UHFFFAOYSA-N

• 3-Aminophenylboronic Acid
IUPAC Name: (3-aminophenyl)boronic acid | CAS Registry Number: 66472-86-4
Synonyms: 3-Aminophenylboronic acid, (3-aminophenyl)boronic acid, 3-Aminobenzeneboronic acid, M-AMINOPHENYLBORONIC ACID, (m-Aminophenyl)metaboric acid, BM130, ALBB-006090, 3-Aminophenylboric acid hemisulphate, EINECS 250-189-0, EINECS 266-376-5, SBB004197, DB01896, NCGC00092011-01, TL8002344, Boronic acid, (3-aminophenyl)-, sulfate (2:1), 30418-59-8, 280563-63-5, APB

Molecular Formula: C6H8BNO2Molecular Weight: 136.944220 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: JMZFEHDNIAQMNB-UHFFFAOYSA-N

• 4-Allyloxybenzaldehyde
IUPAC Name: 4-prop-2-enoxybenzaldehyde | CAS Registry Number: 40663-68-1
Synonyms: p-(Allyloxy)benzaldehyde, p-Allyloxybenzaldehyde, 4-(Allyloxy)benzaldehyde, Benzaldehyde, 4-(2-propenyloxy)-, 544396_ALDRICH, ALBB-001171, NSC44013, EINECS 255-027-2, SBB007994, ZINC01676478, FR-0715

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TYNJQOJWNMZQFZ-UHFFFAOYSA-N

• 4-Acetamido-3-bromoacetophenone
IUPAC Name: N-(4-acetyl-2-bromophenyl)acetamide | CAS Registry Number: 101209-08-9
Synonyms: 4'-Acetamido-3'-bromoacetophenone, N-(4-acetyl-2-bromophenyl)acetamide, SBB058022, ZINC00156624, AC1MVFK6, AC1Q1KHA, SureCN842209, 680346_ALDRICH, CTK8E4725, 4'-Acetamido-3-Bromoacetophenone, MolPort-000-150-260, 3'-Bromo-4'-acetaminoacetophenone, ACT08037, AKOS005206869, MCULE-8641336741, FS000804, KB-30191, KB-36107, N-(2-bromanyl-4-ethanoyl-phenyl)ethanamide, FT-0617370

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

InChIKey: PMYJAVHDFDKJBS-UHFFFAOYSA-N

• 2,4,5-Trimethylbenzaldehyde
IUPAC Name: 2,4,5-trimethylbenzaldehyde | CAS Registry Number: 5779-72-6
Synonyms: Duraldehyde, Duryl aldehyde, Benzaldehyde, 2,4,5-trimethyl-, 526452_ALDRICH, CID22013, 2,4,5-TRIMETHYLBENZALDEHYDE, ZINC02566202, BBR-008770

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LROJZZICACKNJL-UHFFFAOYSA-N

• 1-(2-Aminophenyl)pyrrole
IUPAC Name: 2-pyrrol-1-ylaniline | CAS Registry Number: 6025-60-1
Synonyms: N-(2-Aminophenyl)pyrrole, 2-(1H-Pyrrol-1-yl)aniline, MLS000833745, 196940_ALDRICH, EINECS 227-884-2, NSC130753, ZINC00137173, SMR000457466, ST5109376

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GDMZHPUPLWQIBD-UHFFFAOYSA-N

• 4-Hydroxy Phenyl Acetic Acid Ethyl Ester
IUPAC Name: ethyl 2-(4-hydroxyphenyl)acetate | CAS Registry Number: 17138-28-2
Synonyms: Ethyl 4-hydroxyphenylacetate, ethyl (4-hydroxyphenyl)acetate, EINECS 241-197-5, ETHYL 4-HYDROXYBENZENEACETATE, ZINC00161638, Benzeneacetic acid, 4-hydroxy-, ethyl ester, (4-Hydroxy-phenyl)-acetic acid ethylester, ST5407272, Acetic acid, (p-hydroxyphenyl)-, ethyl ester, InChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HYUPPKVFCGIMDB-UHFFFAOYSA-N

• (S)-3-Amino-4-(4-chlorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(4-chlorophenyl)butanoic acid | CAS Registry Number: 270596-41-3
Synonyms: (S)-3-Amino-4-(4-chlorophenyl)butanoic acid, (S)-3-Amino-4-(4-chloro-phenyl)-butyric acid, SureCN288206, (3S)-3-amino-4-(4-chlorophenyl)butanoic Acid, AC1MC594, MolPort-003-986-697, AKOS016002866, AG-E-88059, AK-34464, KB-211434, TL8002182

Molecular Formula: C10H12ClNO2Molecular Weight: 213.660780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LCYHDQUYYVDIPY-VIFPVBQESA-N

• 4-Methyl-1-Phenyl-3-pyrazolidone
IUPAC Name: 4-methyl-1-phenylpyrazolidin-3-one | CAS Registry Number: 2654-57-1
Synonyms: Phenidone B, ChemDiv3_006639, 3-Pyrazolidinone, 4-methyl-1-phenyl-, 1-Phenyl-4-methyl-3-pyrazolidone, Oprea1_430085, Oprea1_755749, MLS000689206, 1-Phenyl-4-methylpyrazolidone-3, NSC96628, 4-Methyl-1-phenyl-3-pyrazolidinone, ZERO/001086, 4-Methyl-1-phenyl-3-pyrazolidone, AIDS126035, AIDS-126035, 4-methyl-1-phenylpyrazolidin-3-one, EINECS 220-180-6, NSC 96628, IDI1_024549, BAS 00367184, SMR000283228

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZZEYCGJAYIHIAZ-UHFFFAOYSA-N

• 2-Fluoroadenosine
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 146-78-1
Synonyms: 2-Far, 2-Fas, F-Ara-A, Ambap1078, Fludarabine des-phosphate, ADENOSINE, 2-FLUORO-, MLS001066367, F2773_SIGMA, SRI 727, 656402_ALDRICH, CHEBI:39740, NSC 30605, BRN 0043956, PDSP1_001071, PDSP2_001055, 6-Amino-2-fluoro-9-beta-D-ribofuranosylpurine, AI3-52599, NCGC00181336-01, LS-15139, SMR000471849

Molecular Formula: C10H12FN5O4Molecular Weight: 285.231783 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: HBUBKKRHXORPQB-UUOKFMHZSA-N

• 4-Phenylbutyric acid sodium salt
IUPAC Name: sodium 4-phenylbutanoate | CAS Registry Number: 1716-12-7
Synonyms: Buphenyl, TriButyrate, Ammonaps, Ammonapse, Sodium 4-phenylbutyrate, NaPb, Buphenyl (TN), SODIUM PHENYLBUTYRATE, PBNA, 4-Phenylbutyrate, Na, 4PBA, Sodium phenylbutyrate [USAN], Sodium phenylbutyrate (USAN), Benzenebutanoic acid, sodium salt, Phenylbutyric acid sodium salt, C10H12O2.Na, 4-Phenylbutyric Acid Sodium Salt, Sodium 4-Phenylbutyrate (Buphenyl), EL-532, IN1087

Molecular Formula: C10H11NaO2Molecular Weight: 186.182910 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VPZRWNZGLKXFOE-UHFFFAOYSA-M

• 4-Chloro-dl-phenylalanine methyl ester hydrochloride
IUPAC Name: [3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium chloride | CAS Registry Number: 14173-40-1
Synonyms: PCPA hydrochloride, DL-Pcpa methyl ester hydrochloride, EINECS 238-024-0, LS-15973, LS-15974, p-Chlorophenylalanine methyl ester hydrochloride, DL-p-Chlorophenylalanine methyl ester hydrochloride, Methyl 4-chloro-3-phenyl-DL-alaninate hydrochloride, Phenylalanine, 4-chloro-, methyl ester, hydrochloride, DL-3-(p-Chlorophenyl)alanine methyl ester hydrochloride, DL-Phenylalanine, 4-chloro-, methyl ester, hydrochloride, ALANINE, 3-(p-CHLOROPHENYL)-, METHYL ESTER, HYDROCHLORIDE, ALANINE, 3-(p-CHLOROPHENYL)-, METHYL ESTER, HYDROCHLORIDE, DL-, 23434-91-5, 23434-96-0

Molecular Formula: C10H13Cl2NO2Molecular Weight: 250.121720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GCBCWTWQAFLKJG-UHFFFAOYSA-N

• 2-Ethylanisate
IUPAC Name: ethyl 2-methoxybenzoate | CAS Registry Number: 7335-26-4
Synonyms: Ethyl o-anisate, Ethyl ortho-anisate, o-Anisic acid, ethyl ester, Benzoic acid, 2-methoxy-, ethyl ester, CID81784, EINECS 230-843-1, ZINC02560581, AI3-30234, ST5406844

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FNODWEPAWIJGPM-UHFFFAOYSA-N

• 6-Methoxy-1-Indanone
IUPAC Name: 6-methoxy-2,3-dihydroinden-1-one | CAS Registry Number: 13623-25-1
Synonyms: 6-Methoxy-1-indanone, 175250_ALDRICH, NSC338231, CID334036, ZINC00388443, ST5405899, TL8000839

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UJGDLLGKMWVCPT-UHFFFAOYSA-N

• 2-Hydroxy-2-Methyl-Phenyl-Propane-1-One
IUPAC Name: 2-hydroxy-2-methyl-1-phenylpropan-1-one | CAS Registry Number: 7473-98-5
Synonyms: HMPP, 2-Hydroxy-2-methylpropiophenone, 405655_ALDRICH, EINECS 231-272-0, 1-Phenyl-2-hydroxy-2-methylpropan-1-one, NSC 401744, NSC401744, 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-, 2-Hydroxy-2-methyl-1-phenyl-1-propanone, LS-123055, TL8005139, 126038-32-2, 71833-40-4, 75718-48-8

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XMLYCEVDHLAQEL-UHFFFAOYSA-N

• (S)-3-Amino-4-(4-fluorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(4-fluorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270596-53-7
Synonyms: (S)-3-AMINO-4-(4-FLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC5A1, (s)-3-amino-4-(4-fluorophenyl)butyric acid hydrochloride, CTK8E9389, MolPort-003-794-047, (3S)-3-amino-4-(4-fluorophenyl)butanoic Acid Hydrochloride, SBB063979, AKOS015889867, AK114886, KB-211437, TL8002186, 4-Fluoro-L-beta-homophenylalanine hydrochloride, (S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid-HCl

Molecular Formula: C10H13ClFNO2Molecular Weight: 233.667123 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: QCJJUEQWIMCTAA-FVGYRXGTSA-N

• 3-Methoxy-4-HydroxyPropiophenone
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)propan-1-one | CAS Registry Number: 1835-14-9
Synonyms: Propioguaiacol, Propioguaiacone, Propiovanillone, 4-Hydroxy-3-methoxypropiophenone, 3-Methoxy-4-hydroxypropiophenone, MLS000776976, MLS001049078, AIDS113491, BB_NC-0331, AIDS-113491, NSC16691, NSC 16691, ZINC00494463, Propiophenone, 4'-hydroxy-3'-methoxy, 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl), SMR000386916, 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-, 4'-HYDROXY-3'-METHOXYPROPIOPHENONE, 1-(4-hydroxy-3-methoxyphenyl)-1-propanone, 1-(4-Hydroxy-3-methoxy-phenyl)-propan-1-one

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FBGXENQFSMMBNY-UHFFFAOYSA-N

• 2-Bromo-1-(3-chloro-4-methylphenyl)propan-1-one
IUPAC Name: 2-bromo-1-(3-chloro-4-methylphenyl)propan-1-one | CAS Registry Number: 175135-93-0
Synonyms: BTB 09098, ZINC00153247, CID2774950, FS000848, 2-Bromo-3'-chloro-4'methyl propiophenone

Molecular Formula: C10H10BrClOMolecular Weight: 261.542800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RGMFWCVOMGKIJM-UHFFFAOYSA-N

• 4-Methyl Propiophenone
IUPAC Name: 1-(4-methylphenyl)propan-1-one | CAS Registry Number: 5337-93-9
Synonyms: 4'-Methylpropiophenone, 4-Methylpropiophenone, p-Methylpropiophenone, 517925_ALDRICH, NSC852, EINECS 226-267-5, 1-Propanone, 1-(4-methylphenyl)-, ZINC01587635, 1-(4-METHYLPHENYL)-1-PROPANONE, AI3-04217

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PATYHUUYADUHQS-UHFFFAOYSA-N

• (S)-3-Amino-4-(2-chlorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(2-chlorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270596-36-6
Synonyms: (S)-3-AMINO-4-(2-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, (S)-3-Amino-4-(2-chlorophenyl)butyric acid hydrochloride, AC1MC58D, CTK8E9393, MolPort-003-794-019, (3S)-3-amino-4-(2-chlorophenyl)butanoic Acid Hydrochloride, AK114878, KB-211421, TL8002180, 2-Chloro-L-beta-homophenylalanine hydrochloride, I01-5194

Molecular Formula: C10H13Cl2NO2Molecular Weight: 250.121720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: POAZZXSNVUMPBP-QRPNPIFTSA-N

• 4-Amino-N-Cyclopropyl-3,5-Dichlorobenzamide
IUPAC Name: 4-amino-3,5-dichloro-N-cyclopropylbenzamide | CAS Registry Number: 60676-83-7
Synonyms: CID43397, MR-1230, NSC77097, BRN 2811202, 4-Amino-N-cyclopropyl-3,5-dichlorobenzamide, N-Cyclopropyl-3,5-dichloro-4-aminobenzamide, N-Cyclopropyl-4-amino-3,5-dichlorobenzamide, A 19931, LS-25478, Benzamide, 4-amino-3,5-dichloro-N-cyclopropyl-, BENZAMIDE, 4-AMINO-N-CYCLOPROPYL-3,5-DICHLORO-

Molecular Formula: C10H10Cl2N2OMolecular Weight: 245.105200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZOEINVZGXJXJIR-UHFFFAOYSA-N

• 7-Cyano-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-7-carbonitrile | CAS Registry Number: 149355-52-2
Synonyms: 1,2,3,4-tetrahydroisoquinoline-7-carbonitrile, 1,2,3,4-Tetrahydro-7-isoquinolinecarbonitrile, 1,2,3,4-Tetrahydro-isoquinoline-7-carbonitrile, F2167-0036, SureCN351435, CHEMBL27162, CHEBI:135133, MolPort-002-499-450, ANW-75170, ZINC12647762, AKOS005207179, AB13377, AG-D-95467, AK-33375, KB-46330, FT-0643436, FT-0694289, A-2599, C90105, S14-2482

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LJFNUFCUPDECPC-UHFFFAOYSA-N

• 2-Aminoimidazole sulfate
IUPAC Name: 1H-imidazol-2-amine; sulfuric acid | CAS Registry Number: 1450-93-7
Synonyms: Imidazol-2-ylamine sulphate, Bis(2-amino-1H-imidazole) sulphate, EINECS 215-918-9, EINECS 255-791-7, SBB000224, 42383-61-9

Molecular Formula: C3H7N3O4SMolecular Weight: 181.170380 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: LEUJVEZIEALICS-UHFFFAOYSA-N

• 2-(2-Fluorophenyl)pyrrolidine hydrochloride
IUPAC Name: 2-(3-fluorophenyl)pyrrolidine | CAS Registry Number: 298690-72-9
Synonyms: 2-(3-fluorophenyl)pyrrolidine, 2-(3-fluorophenyl)-pyrrolidine, 2-(3-FLUORO-PHENYL)-PYRROLIDINE, AG-E-97508, ST084812, ZERO/004834, AC1Q4LJO, SureCN166716, Oprea1_820324, AC1N074F, 2-(3-Fluorophenyl)pyrrolidine;, CTK4G3949, CBI-BB ZERO/004834, MolPort-000-148-699, Pyrrolidine,2-(3-fluorophenyl)-, ACT01724, ANW-49386, BBL020487, SBB012996, STK347624

Molecular Formula: C10H12FNMolecular Weight: 165.207383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OADZVVBVXBBMPW-UHFFFAOYSA-N

• 3-Chloro-L-tyrosine
IUPAC Name: (2S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid | CAS Registry Number: 7423-93-0
Synonyms: 512443_ALDRICH, EINECS 231-050-3

Molecular Formula: C9H10ClNO3Molecular Weight: 215.633600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ACWBBAGYTKWBCD-ZETCQYMHSA-N


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