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Ningbo Pangs Chem Int'l Co., Ltd.

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Profile: Ningbo Pangs Chem Int'l Co., Ltd. is a supplier of natural plant extracts, nutritional supplements and chemical materials. Our product line includes pharmaceutical chemicals such as 4-hydroxycoumarin, 5-fluorouracil, adenine, baclofen, biapenem, captopril, dimetridazole, glimepiride, nateglinide, niflumic acid, morniflumate, chitosan and metoprolol. We offer nutritional additives such as fructose, chondroitin sulfate, melatonin, calcium caseinate, calcium citrate, calcium gluconate, ferrous lactate and potassium sorbate.

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• 3,3-Dichloro Benzidine HCl
IUPAC Name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline dihydrochloride | CAS Registry Number: 612-83-9
Synonyms: 3,3'-Dichlorobenzidine.2HCl, CCRIS 5899, HSDB 5715, D9886_SIGMA, 3,3'-Dichlorobenzidine 2HCl, 46093_RIEDEL, NSC 3524, EINECS 210-323-0, 3,3'-DICHLOROBENZIDINE DIHYDROCHLORIDE, 3,3'-Dichlorobenzidine hydrochloride, AI3-22046, LS-1466, Benzidine, 3,3'-dichloro-, dihydrochloride, NCGC00090883-01, 3,3'-dichlorobiphenyl-4,4'-diamine dihydrochloride, (1,1'-Biphenyl)-4,4'-diamine, 3,3'-dichloro-, dihydrochloride, [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dichloro-, dihydrochloride

Molecular Formula: C12H12Cl4N2Molecular Weight: 326.049080 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: BXAONUZFBUNTQR-UHFFFAOYSA-N

• 4,5-Dicyanoimidazole
IUPAC Name: 1H-imidazole-4,5-dicarbonitrile | CAS Registry Number: 1122-28-7
Synonyms: Imidazole-4,5-dicarbonitrile, 1H-Imidazole-4,5-dicarbonitrile, 4,5-Imidazoledicarbonitrile, 4,5-Dicyanoimidazole solution, 324132_ALDRICH, 554030_ALDRICH, 591254_ALDRICH, 1,1'-sulfonylbis(1H-imidazole), EINECS 214-344-6, NSC113954, ZINC00090751, Imidazole-4,5-dicarbonitrile solution, ST5192168, 1H-imidazole, 1-(1H-imidazol-1-ylsulfonyl)-, InChI=1/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9

Molecular Formula: C5H2N4Molecular Weight: 118.096180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XGDRLCRGKUCBQL-UHFFFAOYSA-N

• 1-Bis(4-Fluorophenyl)methyl Piperazine
IUPAC Name: 1-[bis(4-fluorophenyl)methyl]piperazine | CAS Registry Number: 27469-60-9
Synonyms: 552402_ALDRICH, 94896_FLUKA, ALBB-006009, EINECS 248-476-0, SBB002996, 1-(4,4'-Difluorobenzhydryl)piperazine, 1-Bis(4-fluorophenyl)methyl piperazine, 1-(Bis(4-fluorophenyl)methyl)piperazine, 1-[bis(4-fluorophenyl)methyl]piperazine, N-(Bis(4-fluorophenyl)methyl)piperazine, TL8002211

Molecular Formula: C17H18F2N2Molecular Weight: 288.335026 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: TTXIFFYPVGWLSE-UHFFFAOYSA-N

• 2-Aminopropane-1,3-Diol
IUPAC Name: 2-aminopropane-1,3-diol | CAS Registry Number: 534-03-2
Synonyms: Serinol, 2-Amino-1,3-propanediol, 1,3-Propanediol, 2-amino-, 2-Aminopropane-1,3-diol, 357898_ALDRICH, 40362_FLUKA, CID68294, NSC93746, EINECS 208-584-0, TL8003513, InChI=1/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H, 126127-30-8, 92533-31-8, 98923-20-7, SEL

Molecular Formula: C3H9NO2Molecular Weight: 91.109060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: KJJPLEZQSCZCKE-UHFFFAOYSA-N

• 2-Chloro-4,6-Dimethoxy Pyrimidine
IUPAC Name: 2-chloro-4,6-dimethylpyrimidine | CAS Registry Number: 4472-44-0
Synonyms: 2-Chloro-4,6-dimethylpyrimidine, NSC49016, NSC 49016, PYRIMIDINE, 2-CHLORO-4,6-DIMETHYL-, CID20550, BRN 0110697, ZINC01529072, LS-134909, ST5160455, 5-23-05-00401 (Beilstein Handbook Reference), AF-399/25039008

Molecular Formula: C6H7ClN2Molecular Weight: 142.586180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RZVPFDOTMFYQHR-UHFFFAOYSA-N

• 2,2-Dimethyl Tetrahydro Thiazole
IUPAC Name: 2,2-dimethyl-1,3-thiazolidine hydrochloride | CAS Registry Number: 19351-18-9
Synonyms: 2,2-Dimethyl thiazolidine hydrochloride, Thiazolidine, 2,2-dimethyl-, hydrochloride, LS-151274, Dimethyl-2,2 thiazolidine (chlorhydrate) [French], 822-44-6

Molecular Formula: C5H12ClNSMolecular Weight: 153.673480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: NKPNSVCEUIECCA-UHFFFAOYSA-N

• 3-(3,4-DimethoxyPhenyl) Propionic Acid
IUPAC Name: 3-(3,4-dimethoxyphenyl)propanoic acid | CAS Registry Number: 2107-70-2
Synonyms: 2ay3, Oprea1_529953, MLS000779082, 3-(3,4-Dimethoxyphenyl)propionic acid, 162345_ALDRICH, ARONIS003855, 3,4-Dimethoxyhydrocinnamic acid, 3-(3,4-Dimethoxyphenyl)propanoic acid, Benzenepropanoic acid, 3,4-dimethoxy-, CID75019, NSC76043, EINECS 218-288-3, 3-(3,4-Dimethoxyphenyl)-propionic acid, DB04208, SMR000415779, ST040245, 3-(3,4-Dimethoxy-phenyl)-propionic acid, AJ-292/41028972, MPP, InChI=1/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13

Molecular Formula: C11H14O4Molecular Weight: 210.226460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LHHKQWQTBCTDQM-UHFFFAOYSA-N

• 2-Acetylthianaphthene
IUPAC Name: 1-(1-benzothiophen-2-yl)ethanone | CAS Registry Number: 22720-75-8
Synonyms: 2-Acetylbenzothiophene, 2-Acetylbenzo[b]thiophene, 683477_ALDRICH, 1-(1-benzothien-2-yl)ethanone, 1-Benzo[b]thiophen-2-yl-ethanone, 1-Benzo(b)thien-2-ylethan-1-one, EINECS 245-177-7, ZINC02172307, ST5407223, TL8006903

Molecular Formula: C10H8OSMolecular Weight: 176.234920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SGSGCQGCVKWRNM-UHFFFAOYSA-N

• 3-Nitropenylboronic Acid
IUPAC Name: (3-nitrophenyl)boronic acid | CAS Registry Number: 13331-27-6
Synonyms: 3-nitrophenylboronic acid, 3-Nitrobenzeneboronic acid, m-Nitrophenylboronic acid, m-Nitrobenzeneboronic acid, Benzeneboronic acid, m-nitro-, Ambap4631, WLN: WNR CBQQ, (3-nitrophenyl)boronic acid, Boronic acid, (3-nitrophenyl)-, 325104_ALDRICH, NSC 59739, BM115, ALBB-006120, NSC59739, BRN 2938638, NSC401539, AI3-60393, DB02797, NCGC00092010-01, LS-29188

Molecular Formula: C6H6BNO4Molecular Weight: 166.927140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-N

• 3-Methylbenzo[b]thiophene
IUPAC Name: 3-methyl-1-benzothiophene | CAS Registry Number: 1455-18-1
Synonyms: 3-Methylbenzothiophene, 3-Methylthioindene, 3-Methylthianaphthene, 3-Methylbenzylthiophene, 3-Methyl-1-thiaindene, Benzothiophene, 3-methyl-, 3-Methylbenzo(b)thiophene, 3-Methyl-1-benzothiophene, Benzo[b]thiophene, 3-methyl-, 638587_ALDRICH, EINECS 215-934-6, NSC267241, ZINC01081482, NSC 267241, ST5307782, Benzo(b)thiophene, 3-methyl- (8CI)(9CI)

Molecular Formula: C9H8SMolecular Weight: 148.224820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SEBRPHZZSLCDRQ-UHFFFAOYSA-N

• 2-propyl-1H- imidazole-4,5-dicarboxy acid diethyl
IUPAC Name: diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate | CAS Registry Number: 144689-94-1
Synonyms: Diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate, 2-Propyl-1H-imidazole-4,5-dicarboxylic Acid Diethyl Ester, Diethyl 2-Propylimidazole-4,5-dicarboxylate, ST081233, 2-propyl-1H- imidazole-4,5-dicarboxy acid diethyl ester, DIETHYL-2-PROPYLIMIDAZOLE-4,5-DICARBOXYLATE, PubChem20746, ACMC-209ct8, SureCN1275935, KSC496K3F, CTK3J6532, MolPort-002-749-728, ACN-S004276, ANW-20874, STK665514, ZINC12411415, AKOS003406873, AC-3502, AG-B-62473, LS41209

Molecular Formula: C12H18N2O4Molecular Weight: 254.282320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZQPMIDPIXSMOAD-UHFFFAOYSA-N

• 2,4,5-Trifluoro-3-chlorobenzoic acid
IUPAC Name: 3-chloro-2,4,5-trifluorobenzoate | CAS Registry Number: 101513-77-3
Synonyms: ZINC02526219, CID7016347

Molecular Formula: C7HClF3O2-Molecular Weight: 209.529850 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KBESHLYCSZINAJ-UHFFFAOYSA-M

• 3,4-Dihydroxy benzonitrile
IUPAC Name: 3,4-dihydroxybenzonitrile | CAS Registry Number: 17345-61-8
Synonyms: Protocatechuonitrile, 3,4-Dihydroxybenzonitrile, 538396_ALDRICH, EINECS 241-367-9, SBB008582, ZINC00157092, FR-2291, TL8001371

Molecular Formula: C7H5NO2Molecular Weight: 135.120100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NUWHYWYSMAPBHK-UHFFFAOYSA-N

• 2-Butyl-3-(3',5'-diiodo-4-hydroxybenzonyl)benzofuran
IUPAC Name: (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone | CAS Registry Number: 1951-26-4
Synonyms: CID74769, NSC85437, EINECS 217-773-7, SL-00818, C15143, L 3373, (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone, (2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone

Molecular Formula: C19H16I2O3Molecular Weight: 546.137480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PNFMEGSMKIHDFZ-UHFFFAOYSA-N

• 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride | CAS Registry Number: 4462-55-9
Synonyms: ZINC02510210, CID78212, EINECS 224-723-8, ST5411830, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid chloride, 4-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl-

Molecular Formula: C11H6Cl3NO2Molecular Weight: 290.529840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IZQGELJKDARDMZ-UHFFFAOYSA-N

• 4-Chloro-2,6-dimethylpyrimidine
IUPAC Name: 4-chloro-6-methylpyrimidin-2-amine | CAS Registry Number: 5600-21-5
Synonyms: AM (inhibitor), AM (pesticide), prepn. AM, AM (nitrification inhibitor), MLS000389365, 2-AMINO-4-CHLORO-6-METHYLPYRIMIDINE, 2-Pyrimidinamine, 4-chloro-6-methyl-, 122882_ALDRICH, NSC 7892, 4-chloro-6-methylpyrimidin-2-amine, EINECS 227-018-3, NSC7892, NSC 23661, 4-Chloro-6-methylpyrimidin-2-ylamine, AIDS020790, Pyrimidine, 2-amino-4-chloro-6-methyl-, AIDS-020790, NSC23661, BRN 0114297, 2-Amino-6-chloro-4-methylpyrimidine

Molecular Formula: C5H6ClN3Molecular Weight: 143.574240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NPTGVVKPLWFPPX-UHFFFAOYSA-N

• 5-Chloro-2-hydroxybenzophenone
IUPAC Name: (5-chloro-2-hydroxyphenyl)-phenylmethanone | CAS Registry Number: 85-19-8
Synonyms: Benzophenone-7, Dow Hcb, UV Absorber nl/5, 2-Benzoyl-4-chlorophenol, 2-Hydroxy-5-chlorobenzophenone, 3-Chloro-6-hydroxybenzophenone, C44702_ALDRICH, CHLOROHYDROXY BENZOPHENONE, Benzophenone, 5-chloro-2-hydroxy-, HSDB 2765, CID6799, NSC33407, EINECS 201-592-5, NSC 33407, ZINC00136128, (5-Chloro-2-hydroxyphenyl)phenylmethanone, Methanone, (5-chloro-2-hydroxyphenyl)phenyl-, ST029239, Benzophenone, 5-chloro-2-hydroxy- (8CI), TL8005573

Molecular Formula: C13H9ClO2Molecular Weight: 232.662360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OMWSZDODENFLSV-UHFFFAOYSA-N

• 2-Amino-3-Picoline
IUPAC Name: 3-methylpyridin-2-amine | CAS Registry Number: 1603-40-3
Synonyms: 2-Amino-3-picoline, 2-Amino-3-methylpyridine, 2-Pyridinamine, 3-methyl-, 3-Methyl-2-pyridinamine, 3-Picoline, 2-amino-, 2-Amino-beta-picoline, 3-Methyl-2-aminopyridine, 3-Methyl-2-pyridylamine, 3-methylpyridin-2-amine, 2-Amino-.beta.-picoline, WLN: T6NJ BZ C1, A75633_ALDRICH, NSC 450, NSC450, PYRIDINE, 2-AMINO-3-METHYL-, EINECS 216-501-4, 3-Picoline, 2-amino- (8CI), AIDS020432, 2-AMINO-3-METHYL-PYRIDINE, AIDS-020432

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

InChIKey: RGDQRXPEZUNWHX-UHFFFAOYSA-N

• 2-Hydroxy-3-Nitro Pyridine
IUPAC Name: 3-nitro-1H-pyridin-2-one | CAS Registry Number: 6332-56-5
Synonyms: 2-Hydroxy-3-nitropyridine, 3-Nitro-2-pyridinol, 3-Nitropyridin-2-ol, 3-Nitro-2-pyridone, 3-Nitro-2-hydroxypyridine, Pyridine, 2-hydroxy-3-nitro, 2(1H)-Pyridinone, 3-nitro-, 2-PYRIDINOL, 3-NITRO-, 190616_ALDRICH, 56025_FLUKA, EINECS 228-709-2, ZERO/002863, NSC 26281, NSC26281, ZERO/008538, ZINC00034706, 2(1H)-Pyridinone, 3-nitro- (9CI), LS-133013, TL8004413, H08131

Molecular Formula: C5H4N2O3Molecular Weight: 140.096860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BOAFCICMVMFLIT-UHFFFAOYSA-N

• 2-Chloromandelic acid
IUPAC Name: 2-(2-chlorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 10421-85-9
Synonyms: Maybridge3_004881, (2-Chlorophenyl)glycolic acid, 530182_ALDRICH, NSC31401, EINECS 233-900-9, NSC 31401, SBB003705, IDI1_016268, AI3-07572, Benzeneacetic acid, 2-chloro-alpha-hydroxy-, SR-01000640397-1

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RWOLDZZTBNYTMS-UHFFFAOYSA-N

• 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
IUPAC Name: 2,4-dichloro-5-fluoro-3-nitrobenzoate | CAS Registry Number: 106809-14-7
Synonyms: ZINC04254502, CID7153420

Molecular Formula: C7HCl2FNO4-Molecular Weight: 252.991543 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PCSAPCNEJUEIGU-UHFFFAOYSA-M

• 2-Ethylpiperidine
IUPAC Name: 2-ethylpiperidine | CAS Registry Number: 1484-80-6
Synonyms: .alpha.-Ethylpiperidine, alpha-Ethylpiperidine, Piperidine, 2-ethyl-, EINECS 216-058-7, NSC211477, SBB004312, NSC 211477, TL8001057, 78738-37-1

Molecular Formula: C7H15NMolecular Weight: 113.200700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QBBKKFZGCDJDQK-UHFFFAOYSA-N

• 1-Methyl-2-phenylindole-3-carboxyaldehyde
IUPAC Name: 1-methyl-2-phenylindole-3-carbaldehyde | CAS Registry Number: 1757-72-8
Synonyms: MLS000709096, ZINC02556301, CID74468, EINECS 217-149-4, 1-Methyl-2-phenyl-1H-indole-3-carbaldehyde, BAS 00009623, SMR000282963, Indole-3-carboxaldehyde, 1-methyl-2-phenyl-, M-4302, 1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-

Molecular Formula: C16H13NOMolecular Weight: 235.280520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YJOWMBICANYBLV-UHFFFAOYSA-N

• 4,5,6-Trichloropyrimidine
IUPAC Name: 4,5,6-trichloropyrimidine | CAS Registry Number: 1780-27-4
Synonyms: NSC66902, CID249007, NCI60_024048

Molecular Formula: C4HCl3N2Molecular Weight: 183.423140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AUWPHGWEYHEAIG-UHFFFAOYSA-N

• 1,2-O-Isopropylidene-alpha-D-glucofuranose
IUPAC Name: 1-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol | CAS Registry Number: 18549-40-1
Synonyms: Maybridge3_000378, Oprea1_758719, CBDivE_002426, 1,2-O-Isopropylidene-D-glucofuranose, NSC1697, IDI1_011765, ST5039974, .alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, Glucofuranose, 1,2-O-isopropylidene-, .alpha.-D-

Molecular Formula: C9H16O6Molecular Weight: 220.219740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: BGGCXQKYCBBHAH-UHFFFAOYSA-N

• 2,3-Dichloropyridine
IUPAC Name: 2,3-dichloropyridine | CAS Registry Number: 2402-77-9
Synonyms: 2,3-DICHLOROPYRIDINE, Pyridine, 2,3-dichloro-, WLN: T6NJ BG CG, CCRIS 1726, D73405_ALDRICH, PYRIDINE,2,3-DICHLORO, EINECS 219-281-8, NSC 298535, BRN 0109811, NSC298535, ZINC00333069, D209, LS-131361, PB278179258, 5-20-05-00415 (Beilstein Handbook Reference), AF-834/25002667, InChI=1/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3

Molecular Formula: C5H3Cl2NMolecular Weight: 147.990020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MAKFMOSBBNKPMS-UHFFFAOYSA-N

• 3',5'-Anhydrothymidine
IUPAC Name: 1-[(1S,3R,5R)-4,7-dioxabicyclo[3.2.0]heptan-3-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 38313-48-3
Synonyms: ZINC15657777, AK135243, P776, KB-179363

Molecular Formula: C10H12N2O4Molecular Weight: 224.213280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OAWLMYIJZBBZTP-XLPZGREQSA-N

• 2-Hydroxy-4-phenylthiazole
IUPAC Name: 4-phenyl-3H-1,3-thiazol-2-one | CAS Registry Number: 3884-31-9
Synonyms: 2-thiazolol, 4-phenyl-, 4-Phenyl-2(3H)-thiazolone, 4-phenyl-1,3-thiazol-2-ol, 4-phenyl-3H-1,3-thiazol-2-one, 4-phenyl-1,3-thiazol-2(3H)-one, ST51000461, 4-phenylthiazol-2-ol, 4-Phenyl-2-thiazolol, 4-phenyl thiazol-2-ol, 4-Phenyl-thiazol-2-ol, SureCN957329, AC1LF7L6, AC1Q6MR5, SureCN3761557, 4-phenyl-3H-thiazol-2-one, 4-Phenylthiazol-2(3H)-one, MLS000704959, CTK8A0982, MolPort-000-160-014, MolPort-002-473-511

Molecular Formula: C9H7NOSMolecular Weight: 177.222980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UXIWLHNMLDJWMF-UHFFFAOYSA-N

• 1-(4-Methoxyphenyl)-2-(benzylamino)propane
IUPAC Name: 1-(4-methoxyphenyl)-N-(phenylmethyl)propan-2-amine | CAS Registry Number: 43229-65-8
Synonyms: EINECS 256-155-1, N-Benzyl-4-methoxy-alpha-methylphenethylamine

Molecular Formula: C17H21NOMolecular Weight: 255.354740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CVGPWMGXKOKNFD-UHFFFAOYSA-N

• 5-Hydroxymethyl-1,3-benzodioxolane
IUPAC Name: 1,3-benzodioxol-5-ylmethanol | CAS Registry Number: 495-76-1
Synonyms: Piperonyl alcohol, Piperonol, Heliotropyl alcohol, 1,3-BENZODIOXOLE-5-METHANOL, 1,3-Benzodioxol-5-ylmethanol, P49406_ALDRICH, 5-Hydroxymethyl-1,3-benzodioxole, Benzo[1,3]dioxol-5-ylmethanol, 3,4-Methylenedioxybenzyl alcohol, DAlc2-H_000040, 3,4-(Methylenedioxy)phenylmethanol, 3,4-(Methylenedioxy)benzyl alcohol, CID10322, NSC26265, Benzyl alcohol, 3,4-(methylenedioxy)-, EINECS 207-808-4, NSC 26265, SBB004053, ZINC00157455, 1-Hydroxymethyl-3,4-methylenedioxybenzene

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BHUIUXNAPJIDOG-UHFFFAOYSA-N

• 2,3-Cyclopentenopyridine
IUPAC Name: 6,7-dihydro-5H-cyclopenta[b]pyridine | CAS Registry Number: 533-37-9
Synonyms: 2,3-Cyclopentapyridine, 197491_ALDRICH, ZINC01846564, 5H-1-Pyrindine, 6,7-dihydro-, 6,7-Dihydro-5H-cyclopenta[b]pyridine, CID68292, EINECS 208-564-1, 6,7-Dihydro-5H-cyclopenta(b)pyridine, 5H-cyclopenta[b]pyridine, 6,7-dihydro-, TL8003506, InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H

Molecular Formula: C8H9NMolecular Weight: 119.163760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KRNSYSYRLQDHDK-UHFFFAOYSA-N

• 1-(N-Butyl)piperazine
IUPAC Name: 1-butylpiperazine | CAS Registry Number: 5610-49-1
Synonyms: N-Butylpiperazine, 1-Butylpiperazine, 77887_FLUKA, ALBB-002176, CID424322, NSC163107, SBB005884, TL8003645

Molecular Formula: C8H18N2Molecular Weight: 142.241920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YKSVXVKIYYQWBB-UHFFFAOYSA-N

• 2-Nitrothiophene
IUPAC Name: 2-nitrothiophene | CAS Registry Number: 609-40-5
Synonyms: 2-NITROTHIOPHENE, Thiophene, 2-nitro-, WLN: T5SJ BNW, N27004_ALDRICH, NSC 5371, EINECS 210-190-9, NSC5371, AIDS018968, AIDS-018968, ZINC01680876, AI3-16618, LS-153141, ST5214486, TL8003858, InChI=1/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3

Molecular Formula: C4H3NO2SMolecular Weight: 129.137120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JIZRGGUCOQKGQD-UHFFFAOYSA-N

• 2-Acetyl-5-chlorothiophene
IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone | CAS Registry Number: 6310-09-4
Synonyms: 5-Chlor-2-acetyl thiophen, 5-Chloro-2-acetyl thiophen, 5-Chloro-2-thienyl methyl ketone, Ethanone, 1-(5-chloro-2-thienyl)-, Ketone, 5-chloro-2-thienyl methyl, 1-(5-Chloro-2-thienyl)ethanone, 247073_ALDRICH, EINECS 228-630-3, NSC 43020, 1-(5-Chloro-2-thienyl)ethan-1-one, NSC43020, BRN 0113936, ZINC00035873, BA 11044, AI3-15902, LS-87118, ST005676, 5-17-09-00391 (Beilstein Handbook Reference), AI-942/40232791, InChI=1/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H

Molecular Formula: C6H5ClOSMolecular Weight: 160.621300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HTZGPEHWQCRXGZ-UHFFFAOYSA-N

• 1,4-Cyclohexandione
IUPAC Name: cyclohexane-1,4-dione | CAS Registry Number: 637-88-7
Synonyms: 1,4-Cyclohexanedione, TETRAHYDROQUINONE, 1,4-Dioxocyclohexane, Cyclohexane-1,4-dione, 125423_ALDRICH, 29070_FLUKA, CHEBI:28286, NSC7192, NSC 7192, EINECS 211-306-0, c0554, STK335618, ZINC03860985, FR-2390, AI3-22410, TL8004488, C08063, InChI=1/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H

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

InChIKey: DCZFGQYXRKMVFG-UHFFFAOYSA-N

• 3-Amino-1,2,4-dithiazole-5-thione
IUPAC Name: 5-amino-1,2,4-dithiazole-3-thione | CAS Registry Number: 6846-35-1
Synonyms: Xanthanohydrogen, Xanthane hydride, Xanthahydrogen, Isoperthiocyanic acid, Maybridge1_000011, MixCom1_000011, NCIOpen2_000363, WLN: T5MYSSYJ BUS EUM, 5-Imino-1,2,4-dithiazolidine-3-thione, NSC65248, EINECS 229-933-3, NSC 65248, AIDS125210, AIDS-125210, BRN 0112403, 1,2,4-Dithiazole-3-thione, 5-amino-, SBB000105, ZINC03882225, ZINC04070290, ZINC04710251

Molecular Formula: C2H2N2S3Molecular Weight: 150.245680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YWZHEXZIISFIDA-UHFFFAOYSA-N

• 2,3-Dichlorobenzeneboronic acid
IUPAC Name: (2,3-dichlorophenyl)boronic acid | CAS Registry Number: 151169-74-3
Synonyms: 2,3-Dichlorophenylboronic acid, 2,3-Dichlorobenzeneboronic Acid, (2,3-dichlorophenyl)boronic Acid, (2,3-Dichlorophenyl)Boranediol, AG-D-98033, PubChem1810, SureCN4991, ACMC-1C0UR, AC1MC1N2, KSC174K9P, 514047_ALDRICH, 2,3-dichlorophenyl boronic acid, 2,3-Dichlorophenylboronic acid,, CTK0H4597, 2,3-dichloro phenyl boronic acid, MolPort-000-931-555, AC1Q7137, ACT11128, ANW-21326, AKOS004116112

Molecular Formula: C6H5BCl2O2Molecular Weight: 190.819700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: TYIKXPOMOYDGCS-UHFFFAOYSA-N

• (R)-Tetrahydrofurfurylamine
IUPAC Name: [(2R)-oxolan-2-yl]methanamine | CAS Registry Number: 7202-43-9
Synonyms: (R)-(-)-Tetrahydrofurfurylamine, (R)-2-(Aminomethyl)tetrahydrofuran, (R)-(tetrahydrofuran-2-yl)methanamine, PubChem7001, R-Tetrahydrofurfurylamine, AC1MC0ET, SureCN226121, (R)-tetrahydrofurfurylamine, Ambcb4036792, (2R)-oxolan-2-ylmethanamine, 412937_ALDRICH, AC1Q50F4, [(2R)-oxolan-2-yl]methanamine, MolPort-001-791-947, ANW-36143, RW3007, AKOS015836399, AM81808, LS30245, RP18742

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

InChIKey: YNOGYQAEJGADFJ-RXMQYKEDSA-N

• 1-Methyl-1H-pyrazol-3-ylamine
IUPAC Name: 1-methylpyrazol-3-amine | CAS Registry Number: 1904-31-0
Synonyms: 1-Methyl-3-aminopyrazole, 1-methyl-1H-pyrazol-3-amine, ZINC02565745, ALBB-004727, CID137254, STK312377, TL8001553

Molecular Formula: C4H7N3Molecular Weight: 97.118480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MOGQNVSKBCVIPW-UHFFFAOYSA-N

• (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone
IUPAC Name: 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione | CAS Registry Number: 189028-93-1
Synonyms: 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4S)-2-oxazolidinone, (S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, Ezetimibe Intermediate-5, SureCN1177723, Jsp003882, CTK4D9991, MolPort-005-940-270, ACT07247, AMX10118, ANW-44831, SC3731, ZINC21999755, AKOS015896147, AC-1649, AG-E-37893, RL02399, AK-23669, KB-51840, FT-0648270, ST51053181

Molecular Formula: C20H18FNO4Molecular Weight: 355.359623 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XXSSRSVXDNUAQX-QGZVFWFLSA-N

• 1,1'-(Azodicarbonyl)dipiperidine
IUPAC Name: (NE)-N-(piperidine-1-carbonylimino)piperidine-1-carboxamide | CAS Registry Number: 10465-81-3
Synonyms: AdDP, Azodicarboxylic dipiperidide, 255920_ALDRICH, Azodicarboxylic acid dipiperidide, 11632_FLUKA, AIDS030613, AIDS-030613, NSC356027, NSC 356027, Piperidine, 1,1'-(azodicarbonyl)bis-, SR 4077, SR-4077, Piperidine, 1,1'-[azobis(carbonyl)]bis-, Diazenedicarboxylic acid bis(N,N-piperidide), ADD

Molecular Formula: C12H20N4O2Molecular Weight: 252.312800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OQJBFFCUFALWQL-BUHFOSPRSA-N

• 1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
IUPAC Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid | CAS Registry Number: 119-17-5
Synonyms: 556890_ALDRICH, NSC50668, CID67060, NSC15354, EINECS 204-303-0, NSC 15354, 1-(3-Sulfophenyl)-3-methyl-2-pyrazolin-5-one, 1-(m-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE, TECH, Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, Benzenesulfonic acid, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (8CI), m-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 123633-48-7

Molecular Formula: C10H10N2O4SMolecular Weight: 254.262400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VEMGKBUHUTYHHA-UHFFFAOYSA-N

• 2-Cyaniminothiazolidine
IUPAC Name: 4,5-dihydro-1,3-thiazol-2-ylcyanamide | CAS Registry Number: 26364-65-8
Synonyms: 2-Cyanoimino-1,3-thiazolidine, 4,5-dihydro-1,3-thiazol-2-ylcyanamide, 2-(Cyanoimino)thiazolidine, PubChem13590, AC1MV1NH, Jsp005183, CTK8B4352, 4,5-dihydrothiazol-2-ylcyanamide, MolPort-002-887-816, (Z)-thiazolidin-2-ylidene-cyanamide, AC-287, ANW-44793, BD2289, AKOS006276470, N-(1,3-thiazolan-2-yliden)cyanamide, MCULE-4571931190, MS-3389, AK-34441, FT-0638596, M-3479

Molecular Formula: C4H5N3SMolecular Weight: 127.167600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WTUAWWLVVCGTRG-UHFFFAOYSA-N

• 4,5-Dichloro-2-octyl-3(2H)-isothiazolone
IUPAC Name: 4,5-dichloro-2-octyl-1,2-thiazol-3-one | CAS Registry Number: 64359-81-5
Synonyms: Kathon 930, Caswell No. 314B, Anti-Foulant C-9211M, Sea Nine - 211, C11H17Cl2NOS, EINECS 264-843-8, EPA Pesticide Chemical Code 128101, 4,5-Dichloro-2-octyl-2H-isothiazol-3-one, Dichloro-2-n-octyl-3(2H)-isothiazolone, LS-86323, 3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-, 4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone, 4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one

Molecular Formula: C11H17Cl2NOSMolecular Weight: 282.229780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PORQOHRXAJJKGK-UHFFFAOYSA-N

• 2-Methoxy-5-Methyl-Y-Phenyl
IUPAC Name: 3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol | CAS Registry Number: 124937-73-1
Synonyms: 3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol, 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanol, 3-(2-Methoxy-5-methylphenyl)-3-phenylpropan-1-ol, ACMC-20a6fd, SureCN615095, 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-ol, Jsp001636, Jsp001640, CTK0H4365, MolPort-003-986-337, ACT04372, ANW-59255, AKOS015889798, AC-3468, AG-A-50518, AG-D-52857, AK-40881, H698, KB-177422, TL8000650

Molecular Formula: C17H20O2Molecular Weight: 256.339500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OCGTUTJXBDQGKL-UHFFFAOYSA-N

• 2-Indanone oxime
IUPAC Name: N-(1,3-dihydroinden-2-ylidene)hydroxylamine | CAS Registry Number: 3349-63-1
Synonyms: 2-Indanone, oxime, NCIOpen2_000087, 415472_ALDRICH, 1,3-Dihydro-2H-inden-2-one oxime, MolPort-000-882-244, 2H-Inden-2-one, 1,3-dihydro-, oxime, CID76875, NSC54456, NSC62556, EINECS 222-105-2, NSC 54456, NSC 62556, ZINC04655281, BBV-181849, C14639, I01-2658

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UJLFLOAXKVGYIA-UHFFFAOYSA-N

• 1-Bromobutane
IUPAC Name: 1-bromobutane | CAS Registry Number: 109-65-9
Synonyms: Butyl bromide, Butane, 1-bromo-, n-Butylbromide, Bromobutane, N-BUTYL BROMIDE, 1-Butyl bromide, Butane, bromo-, sJPHAbIJuP@, 1-BROMO-BUTANE, CCRIS 831, HSDB 2195, 08953_FLUKA, 19681_FLUKA, B59497_SIAL, EINECS 203-691-9, UN1126, AI3-15308, LS-45622, TL8000306, 1-Bromobutane [UN1126] [Flammable liquid]

Molecular Formula: C4H9BrMolecular Weight: 137.018260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

• 2,4-Dichlorobenzotrifluoride
IUPAC Name: 1,4-dichloro-2-(trifluoromethyl)benzene | CAS Registry Number: 320-60-5
Synonyms: 2,5-Dichlorobenzotrifluoride, 246069_ALDRICH, NSC60712, EINECS 206-276-0, Benzene, 1,4-dichloro-2-(trifluoromethyl)-, CID35360, 1,4-Dichloro-2-(trifluoromethyl)benzene, LS-29823, ST5405472, 2,5-Dichloro-alpha,alpha,alpha-trifluorotoluene, Toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro- (6CI,7CI,8CI), 320-50-3

Molecular Formula: C7H3Cl2F3Molecular Weight: 214.999930 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYBYUWVMLBBEMA-UHFFFAOYSA-N

• 2,6-Dichlorobenzonitrile
IUPAC Name: 2,6-dichlorobenzonitrile | CAS Registry Number: 1194-65-6
Synonyms: dichlobenil, Dichlobanil, Casoron, Cyclomec, Decabane, Dyclomec, Surfassol, Norosac, Casoron gsr, DU-Sprex, Carsoron, Casaron, Prefix D, DBN (pesticide), Casoron 133, Casoron G-4, DBN (the herbicide), Casoron G-10, Casoron G20 SR, Casoron W-50

Molecular Formula: C7H3Cl2NMolecular Weight: 172.011420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YOYAIZYFCNQIRF-UHFFFAOYSA-N

• 2,6-Difluorobenzamide
IUPAC Name: 2,6-difluorobenzamide | CAS Registry Number: 18063-03-1
Synonyms: Benzamide, 2,6-difluoro-, Ambap1714, 282278_ALDRICH, EINECS 241-972-8, ZINC00152949, CID87439, JRD-0429, LS-26492, TL8001442, InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N


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