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JS (Tianjin) Chemical & Metallurgical Co., Ltd.

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Address: No.237,HongQi Nan Road,NanKai Distr, Tianjin 300191, China
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Profile: JS (Tianjin) Chemical & Metallurgical Co., Ltd. manufactures pharmaceutical and its intermediates, fluoride and dyes. Pharmaceutical intermediate products include 1-(2,3-dichlorophenyl)piperazine hydrochloride, 3,4-dihydro-7-hydroxy-2(1H)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-2(1H)-quinolinone, 7-(4-chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone and 1,1-cyclohexanediacetic acid. Chiral intermediates include (R)-epichlorohydrin, (S)-glycidyl tosylate, (R)-4-glycidyl butyrate, 1-(3-chlorophenyl)-piperazine dihydrochloride and 1-(3-trifluoromethylphenyl) piperazine monohydro-chloride.

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• Pentafluorophenol
IUPAC Name: 2,3,4,5,6-pentafluorophenol | CAS Registry Number: 771-61-9
Synonyms: PENTAFLUOROPHENOL, Phenol, pentafluoro-, 2,3,4,5,6-Pentafluorophenol, Ambap5764, Potassium pentafluorophenolate, 103799_ALDRICH, 442745_SUPELCO, EINECS 212-235-8, NSC 21627, CID13041, NSC21627, Phenol, pentafluoro-, potassium salt, ZINC01583742, P110, LS-105036, TL8005301, 4615-85-4

Molecular Formula: C6HF5OMolecular Weight: 184.063556 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: XBNGYFFABRKICK-UHFFFAOYSA-N

• Potassium Perfluorobutanesulfonate
IUPAC Name: potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate | CAS Registry Number: 29420-49-3
Synonyms: EINECS 249-616-3, 3S102880, Potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate, 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt, 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt

Molecular Formula: C4F9KO3SMolecular Weight: 338.189929 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 12

InChIKey: LVTHXRLARFLXNR-UHFFFAOYSA-M

• potassium perfluorooctanesulfonate
IUPAC Name: potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate | CAS Registry Number: 2795-39-3
Synonyms: Potassium PFOS, Fluorad FC 95, Floral FC 95, PFOS, Perfluorooctane sulfonate, Potassium perfluorooctanesulfonate, FC 95, 77282_FLUKA, EINECS 220-527-1, NSC 18405, AI3-50950, Potassium heptadecafluorooctane-1-sulfonate, Perfluorooctanesulfonic acid, potassium salt, Potassium heptadecafluorooctane-1-sulphonate, LS-97934, Perfluorooctanesulfonic acid potassium salt, Potassium heptadecafluoro-1-octanesulfonate, Heptadecafluorooctanesulfonic acid, potassium salt, Heptadecafluorooctanesulfonic acid potassium salt, 1-Octanesulfonic acid, heptadecafluoro-, potassium salt

Molecular Formula: C8F17KO3SMolecular Weight: 538.219954 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 20

InChIKey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M

• Propranolol HCl
IUPAC Name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride | CAS Registry Number: 318-98-9
Synonyms: Inderal, Avlocardyl, Dociton, InnoPran XL, Propranolol.HCl, Propranovitan, Anapriline, Dibudinate, Dumopranol, Hemipralon, Inderalici, Indermigran, Novopranol, Propayerst, Proprahexal, Anaprilin, Arcablock, Artensol, Berkolol, Blocaryl

Molecular Formula: C16H22ClNO2Molecular Weight: 295.804380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ZMRUPTIKESYGQW-UHFFFAOYSA-N

• Propylene Imine
IUPAC Name: 2-methylaziridine | CAS Registry Number: 75-55-8
Synonyms: 2-Methylaziridine, PROPYLENEIMINE, Methylaziridine, Propylenimine, Propylene imine, Methylethylenimine, Aziridine, 2-methyl-, 1,2-Propylenimine, 2-Methylethylenimine, 1,2-Propyleneimine, 2-Methyl aziridine, 2-Methylazacyclopropane, Propilenimina [Spanish], RCRA waste no. P067, RCRA waste number P067, Propyleneimine, inhibited, CCRIS 539, HSDB 739, WLN: T3MTJ B1, 294160_ALDRICH

Molecular Formula: C3H7NMolecular Weight: 57.094380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OZDGMOYKSFPLSE-UHFFFAOYSA-N

• R-4-Phenyl-2-oxazolidinone
IUPAC Name: (4R)-4-phenyl-1,3-oxazolidin-2-one | CAS Registry Number: 90319-52-1
Synonyms: 402451_ALDRICH, ZINC00143125, (R)-(-)-4-Phenyl-2-oxazolidinone, TL8005811, (R)-(−)-4-Phenyl-2-oxazolidinone, A00134

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDMNNMIOWVJVLY-QMMMGPOBSA-N

• Raltitrexed
IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid | CAS Registry Number: 112887-68-0
Synonyms: Tomudex, 2kce, 2tsr, Tomudex (TN), ICI D1694, ZD1694, ICI-D1694, MLS001424225, Raltitrexed (JAN/USAN/INN), STOCK6S-47020, C21H22N4O6S, 1i00, AIDS106596, ICI-D-1694, AIDS-106596, ZD 1694, ZD-1694, ZN-D1694, CID104758, NSC639186

Molecular Formula: C21H22N4O6SMolecular Weight: 458.487580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N

• Ranolazine
IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide | CAS Registry Number: 95635-55-5
Synonyms: Ranexa, RANOLAZINE, Latixa, Ranolazine 2HCl, (-)-Ranolazine, Ran4, ( -)-Ranolazine, Ranolazine dihydrochloride, Ranexa (TN), Ranolazine [USAN], RAN D, Ranolazine (USAN/INN), Lopac0_001062, BSPBio_002276, MLS002154149, SPECTRUM1505366, CVT-303, CID56959, KEG-1295, DB00243

Molecular Formula: C24H33N3O4Molecular Weight: 427.536520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XKLMZUWKNUAPSZ-UHFFFAOYSA-N

• Ranolazine Di HCL
IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide dihydrochloride | CAS Registry Number: 95635-56-6
Synonyms: renolazine, Ranexa, RANOLAZINE, Ranolazine hydrochloride, Ranolazine dihydrochloride, Ambap1289, Ranolazine hydrochloride [USAN], R6152_SIGMA, Ranolazine hydrochloride (USAN), RS 43285, NCGC00094343-01, RS-43285, LS-109923, LS-172122, EU-0101062, D05701, RS 43285-193, (+-)-4-(2-Hydroxy-3-(o-methoxyphenoxy)propyl)-1-piperazineaceto-2',6'-xylidide dihydrochloride, 1-Piperazineacetamide, N-(2,6-dimethylphenyl)-4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)-, dihydrochloride, (+-)-, N-(2,6-dimethylphenyl)-4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)-1-piperazineacetamide

Molecular Formula: C24H35Cl2N3O4Molecular Weight: 500.458400 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: RJNSNFZXAZXOFX-UHFFFAOYSA-N

• Rimsulfuron
IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea | CAS Registry Number: 122931-48-0
Synonyms: Matrix, Tarot, Titus, Rimsulfuron [ANSI], DPX-E9636, DPX-E 9636, NCGC00163825-01, NCGC00163825-02, LS-131962, C10952, 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonyl-2-pyridylsulfonyl)urea, 2-Pyridinesulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-, N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-2-pyridinesulfonamide, N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide

Molecular Formula: C14H17N5O7S2Molecular Weight: 431.444080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: MEFOUWRMVYJCQC-UHFFFAOYSA-N

• S-4-Phenyl-2-oxazolidinone
IUPAC Name: (4S)-4-phenyl-1,3-oxazolidin-2-one | CAS Registry Number: 99395-88-7
Synonyms: 376698_ALDRICH, 78875_FLUKA, (S)-()-4-Phenyl-2-oxazolidinone, ZINC00143123, (S)-(+)-4-Phenyl-2-oxazolidinone, TL8006065, A00133, InChI=1/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDMNNMIOWVJVLY-MRVPVSSYSA-N

• Sevoflurane
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane | CAS Registry Number: 28523-86-6
Synonyms: sevoflurane, Ultane, Sevofluran, Sevofrane, Sevorane, Sojourn, Ultane (TN), Sevofluranum [INN-Latin], Sevoflurano [INN-Spanish], MR6S4, Bax 3084, C4H3F7O, Sevoflurane (JAN/USAN/INN), CID5206, Sevoflurane [USAN:BAN:INN:JAN], Sevoflurane [USAN:INN:BAN:JAN], BRN 2041023, fluoromethyl hexafluoroisopropyl ether, ZINC01530810, DB01236

Molecular Formula: C4H3F7OMolecular Weight: 200.054842 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: DFEYYRMXOJXZRJ-UHFFFAOYSA-N

• Squaric Acid
IUPAC Name: 3,4-dihydroxycyclobut-3-ene-1,2-dione | CAS Registry Number: 2892-51-5
Synonyms: Squaric acid, Quadratic acid, Cyclobutenedione, dihydroxy-, Dihydroxycyclobutenedione, 3,4-Dihydroxy-3-cyclobutene-1,2-dione, CCRIS 6793, WLN: L4VVTJ CQ DQ, 3-Cyclobutene-1,2-dione, 3,4-dihydroxy-, 1,2-Dihydroxycyclobutene-3,4-dione, 1,2-Diketo-3,4-dihydroxycyclobutene, 123447_ALDRICH, 3,4-Dihydroxy-cyclobutene-1,2-dione, EINECS 220-761-4, NSC624671, AIDS160322, NSC 125692, AIDS-160322, BRN 0774275, Cyclobutenedione, dihydroxy- (8CI), NSC125692

Molecular Formula: C4H2O4Molecular Weight: 114.056280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PWEBUXCTKOWPCW-UHFFFAOYSA-N

• Sulbutiamine
IUPAC Name: [(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanylpent-3-enyl] 2-methylpropanoate | CAS Registry Number: 3286-46-2
Synonyms: bisibutiamine, Bisibutiamin, Arcalion, Vitaberin, sulbuthiamine, sulbutiamin, Bisibuthiamine, Youvitan, Sulbutiamine [INN], Youvitan (TN), Sulbutiamine (INN), Bisibuthiamine (JAN), Sulbutiaminum [INN-Latin], Sulbutiamina [INN-Spanish], O-Isobutyroylthiamine disulfide, 2-isobutyrylthiamine disulfide, O,O'-Diisobutyrylthiamine disulfide, EINECS 221-937-3, Thiamine disulfide O,O-diisobutyrate, C32H46N8O6S2

Molecular Formula: C32H46N8O6S2Molecular Weight: 702.887640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: CKHJPWQVLKHBIH-GPAWKIAZSA-N

• Tiotropium bromide
Synonyms: Spiriva, Tiotropium, Spiriva Handihaler, Spiriva Respimat, TIOTROPIUM BROMIDE, BA 679BR, Tiotropium bromide [USAN:INN], BA 679 BR, BA-679 BR, BA-679-BR, 3-Oxa-9-azoniatricyclo(3,3.1.0(2,4))nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-, 7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide

Molecular Formula: C19H22BrNO4S2Molecular Weight: 472.416280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DQHNAVOVODVIMG-RGECMCKFSA-M

• Tolterodine
IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol | CAS Registry Number: 124937-51-5
Synonyms: tolterodine, (+)-Tolterodine, MLS001195620, MLS001304745, CHEBI:9622, KS-1121, NCGC00159519-02, SMR000596518, LS-187278, (+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol, 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol, 2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol

Molecular Formula: C22H31NOMolecular Weight: 325.487640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-N

• Trazodone HCl
IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrochloride | CAS Registry Number: 25332-39-2
Synonyms: Trazodone hydrochloride, Desyrel, Molipaxin, Bimaran, Pragmazone, Thombran, Triticum, Trittico, Devidon, Tombran, Tritico, Azona, Apo-Trazodone, Trialodine, Trazodone Hcl, Prestwick_478, Desyrel (TN), C19H22ClN5O.HCl, HSDB 7048, MLS000069698

Molecular Formula: C19H23Cl2N5OMolecular Weight: 408.324820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OHHDIOKRWWOXMT-UHFFFAOYSA-N

• Triethylsilane
IUPAC Name: triethylsilicon | CAS Registry Number: 617-86-7
Synonyms: TRIETHYLSILANE, Silane, triethyl-, Silane E3H, Triethylsilicon hydride, SILICONTRIETHYL, 230197_ALDRICH, 467448_ALDRICH, 89706_FLUKA, NSC93579, EINECS 210-535-3, NSC 93579, TL8003947

Molecular Formula: C6H15SiMolecular Weight: 115.268800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QXTIBZLKQPJVII-UHFFFAOYSA-N

• Triflic Acid
IUPAC Name: trifluoromethanesulfonic acid | CAS Registry Number: 1493-13-6
Synonyms: Triflic acid, Trimsylate, acide triflique, HOTf, TfOH, Trifluoromethanesulfonic acid, Perfluoromethanesulfonic acid, Fluorad FC 24, Trifluoromethanesulphonic acid, Trifluormethansulfonsaeure, CF3SO3H, Trifluoromethane sulfonic acid, Trifluoromethylsulfonic acid, CF3-SO3H, acide trifluoromethanesulfonique, 347817_ALDRICH, 35317_RIEDEL, CHEBI:48511, EINECS 216-087-5, METHANESULFONIC ACID, TRIFLUORO-

Molecular Formula: CHF3O3SMolecular Weight: 150.077050 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ITMCEJHCFYSIIV-UHFFFAOYSA-N

• Triflic Anhydride
IUPAC Name: trifluoromethylsulfonyl trifluoromethanesulfonate | CAS Registry Number: 358-23-6
Synonyms: Triflic anhydride, Trifluoromethanesulfonic anhydride, 176176_ALDRICH, 91737_FLUKA, CHEBI:48509, Trifluoromethanesulphonic anhydride, EINECS 206-616-8, Methanesulfonic acid, trifluoro-, anhydride, LS-192058, 1,1,1-trifluoromethanesulfonic acid 1,1'-anhydride, 93916-16-6

Molecular Formula: C2F6O5S2Molecular Weight: 282.138819 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: WJKHJLXJJJATHN-UHFFFAOYSA-N

• Trifluoroacetamide
IUPAC Name: 2,2,2-trifluoroacetamide | CAS Registry Number: 354-38-1
Synonyms: Trichloroacetamide, sNyLGQHJPtadTaeTp@, 2,2,2-Trifluoroacetamide, Acetamide, 2,2,2-trifluoro-, 144657_ALDRICH, 91672_FLUKA, NSC9449, NSC 9449, EINECS 206-559-9, ZINC03861120, FS003001, AI3-52681, 594-65-0, TFA

Molecular Formula: C2H2F3NOMolecular Weight: 113.038590 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NRKYWOKHZRQRJR-UHFFFAOYSA-N

• Trifluoroanisole
IUPAC Name: trifluoromethoxybenzene | CAS Registry Number: 456-55-3
Synonyms: (Trifluoromethoxy)benzene, Phenyl trifluoromethyl ether, trifluoromethyloxy-benzene, Benzene, (trifluoromethoxy)-, 337064_ALDRICH, alpha,alpha,alpha-Trifluoroanisole, EINECS 207-269-5, ZINC00167127, ST5405138

Molecular Formula: C7H5F3OMolecular Weight: 162.109210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GQHWSLKNULCZGI-UHFFFAOYSA-N

• Trifluralin
IUPAC Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline | CAS Registry Number: 1582-09-8
Synonyms: trifluralin, Crisalina, Triflurex, Agreflan, Crisalin, Treflan, Nitran, Trifluraline, Trefanocide, Digermin, Elancolan, Synfloran, Treficon, Trifurex, Trikepin, Ipersan, Olitref, Tristar, Nitran K, Trim

Molecular Formula: C13H16F3N3O4Molecular Weight: 335.279050 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: ZSDSQXJSNMTJDA-UHFFFAOYSA-N

• Trifluridine
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione | CAS Registry Number: 70-00-8
Synonyms: Viroptic, Virophta, Trifluoridine, Fluridine, TRIFLUOROTHYMIDINE, F3DThd, 5-Trifluorothymidine, TFDU, CF3dUrd, F3TDR, Viroptic (TN), Trifluoromethyldeoxyuridine, Trifluridine [USAN:INN], Trifluridinum [INN-Latin], Trifluridina [INN-Spanish], Trifluridine (USP/INN), 5-Trifluoro-2'-deoxythymidine, CCRIS 2348, 5-(Trifluoromethyl)deoxyuridine, Trifluorothymine deoxyriboside

Molecular Formula: C10H11F3N2O5Molecular Weight: 296.199950 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: VSQQQLOSPVPRAZ-RRKCRQDMSA-N

• Trimethylsilyl Iodide
IUPAC Name: iodo(trimethyl)silane | CAS Registry Number: 16029-98-4
Synonyms: Iodotrimethylsilane, Trimethyliodosilane, Trimethylsilyl iodide, TMIS, Silane, iodotrimethyl-, 195529_ALDRICH, CID85247, EINECS 240-171-0

Molecular Formula: C3H9ISiMolecular Weight: 200.093530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CSRZQMIRAZTJOY-UHFFFAOYSA-N

• Trimethylsilyl trifluoromethane-sulfonate
IUPAC Name: trimethylsilyl trifluoromethanesulfonate | CAS Registry Number: 27607-77-8
Synonyms: TMS triflate, TMSOTf, Silane TMS-triflate, Trimethylsilyl triflate, 225649_ALDRICH, Trimethylsilyl trifluoromethanesulfonate, 29383_FLUKA, 91741_FLUKA, EINECS 248-565-4, Trimethylsilyltrifluoromethylsulfonate, Trimethylsilyl trifluoromethylsulfonate, Trimethylsilyl trifluoromethanesulphonate, Trifluoromethanesulfonic acid trimethylsilylester, 3S102776, Methanesulfonic acid, trifluoro-, trimethylsilyl ester, 88188-06-1

Molecular Formula: C4H9F3O3SSiMolecular Weight: 222.258170 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: FTVLMFQEYACZNP-UHFFFAOYSA-N

• Trimethylsilylcyanide
IUPAC Name: trimethylsilylformonitrile | CAS Registry Number: 7677-24-9
Synonyms: Trimethylsilyl cyanide, Cyanotrimethylsilane, Trimethylsilylnitrile, TMSCN, Trimethyl silyl nitrile, Trimethylsilylcarbonitrile, Silanecarbonitrile, trimethyl-, 212849_ALDRICH, 73328_FLUKA, 92755_FLUKA, EINECS 231-657-3, T146, TL8005263, InChI=1/C4H9NSi/c1-6(2,3)4-5/h1-3H

Molecular Formula: C4H9NSiMolecular Weight: 99.206460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LEIMLDGFXIOXMT-UHFFFAOYSA-N

• Verapamil Hcl
IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile hydrochloride | CAS Registry Number: 152-11-4
Synonyms: Cardibeltin, Cordilox, Manidon, Verelan, Calan, Cardiabeltin, Cardioprotect, Verapamil HCl, Veroptinstada, Cardiagutt, Durasoptin, Hexasoptin, Veratensin, Berkatens, Calaptin, Corpamil, Dignover, Falicard, Finoptin, Hormitol

Molecular Formula: C27H39ClN2O4Molecular Weight: 491.062560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DOQPXTMNIUCOSY-UHFFFAOYSA-N

• 1,8-Naphthalimide
Synonyms: Naphthalimide, Naphthalimide (8CI), 1,8-Naphthalenedicarboximide, N1658_ALDRICH, Oprea1_068295, Oprea1_308401, Naphthalene-1,8-dicarboximide, 1H-Benz[de]isoquinoline-1,3(2H)-dione, CID66491, NSC11011, EINECS 201-379-7, NSC 11011, ZINC00024215, 1H-Benz(de)isoquinoline-1,3(2H)-dione, ST5211317

Molecular Formula: C12H7NO2Molecular Weight: 197.189480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XJHABGPPCLHLLV-UHFFFAOYSA-N

• 2-Methyl-2-hydroxypropionamide
IUPAC Name: 2-hydroxy-2-methylpropanamide | CAS Registry Number: 13027-88-8
Synonyms: 2-Hydroxyisobutyramide, 2-Hydroxy-2-methylpropionamide, Propanamide, 2-hydroxy-2-methyl-, EINECS 235-890-1, TL8000717

Molecular Formula: C4H9NO2Molecular Weight: 103.119760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DRYMMXUBDRJPDS-UHFFFAOYSA-N

• (1R,2S)-1-Amino-2-indanol
IUPAC Name: [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium | CAS Registry Number: 136030-00-7
Synonyms: ZINC00154815, CID11859592

Molecular Formula: C9H12NO+Molecular Weight: 150.197680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: LOPKSXMQWBYUOI-DTWKUNHWSA-O

• 2-(Trifluoromethoxy)aniline
IUPAC Name: 2-(trifluoromethoxy)aniline | CAS Registry Number: 1535-75-7
Synonyms: 464279_ALDRICH, Benzenamine, 2-(trifluoromethoxy)-, JRD-0646, EINECS 216-257-9, SBB006602, ZINC00163283, alpha,alpha,alpha-Trifluoro-o-anisidine, SDCCGMLS-0066223.P001, TL8001148

Molecular Formula: C7H6F3NOMolecular Weight: 177.123850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZFCOUBUSGHLCDT-UHFFFAOYSA-N

• 5-Amino-2-chlorobenzotrifluoride
IUPAC Name: 4-chloro-3-(trifluoromethyl)aniline | CAS Registry Number: 320-51-4
Synonyms: 4-Chloro-3-(trifluoromethyl)aniline, CCRIS 2815, A45653_ALDRICH, 2-Chloro-5-aminobenzotrifluoride, 3-(Trifluoromethyl)-4-chloroaniline, Benzenamine, 4-chloro-3-(trifluoromethyl)-, EINECS 206-277-6, Aniline, 4-chloro-3-(trifluoromethyl)-, NSC 61405, NSC61405, SBB003592, ZINC00154725, FR-0609, 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine, LS-188122, TL8002437, m-Toluidine, 4-chloro-alpha,alpha,alpha-trifluoro-, m-Toluidine, 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-

Molecular Formula: C7H5ClF3NMolecular Weight: 195.569510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ASPDJZINBYYZRU-UHFFFAOYSA-N

• 4-(Trifluoromethoxy)chlorobenzene
IUPAC Name: 1-chloro-4-(trifluoromethoxy)benzene | CAS Registry Number: 461-81-4
Synonyms: 4-chlorophenyl trifluoromethyl ether, EINECS 207-315-4, ZINC05225638, 1-Chloro-4-(trifluoromethoxy)benzene, ST5407239

Molecular Formula: C7H4ClF3OMolecular Weight: 196.554270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SELFZOLQRDPBKC-UHFFFAOYSA-N

• 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride
IUPAC Name: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride | CAS Registry Number: 52605-52-4
Synonyms: EINECS 258-038-0, 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride

Molecular Formula: C13H19Cl3N2Molecular Weight: 309.662360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JVLRNANYLVRULL-UHFFFAOYSA-N

• 3-Fluoro Nitro Benzene
IUPAC Name: 1-fluoro-3-nitrobenzene | CAS Registry Number: 402-67-5
Synonyms: m-Fluoronitrobenzene, m-Nitrofluorobenzene, 3-Fluoronitrobenzene, Benzene, 1-fluoro-3-nitro-, 1-FLUORO-3-NITROBENZENE, 128392_ALDRICH, 47160_FLUKA, NSC60651, EINECS 206-953-0, NSC 60651, ZINC01690401, TL8002925, Benzene, 1-fluoro-3-nitro- (8CI)(9CI), InChI=1/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4

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

InChIKey: WMASLRCNNKMRFP-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl)piperazine hydrochloride
IUPAC Name: 1-(2,3-dichlorophenyl)piperazine;hydrochloride | CAS Registry Number: 119532-26-2
Synonyms: 41202-77-1, 1-(2,3-Dichlorophenyl)piperazine monohydrochloride, SBB003054, 1-(2,3-Dichlorophenyl)-piperazine hydrochloride, 1-(2,3-dichlorophenyl)-piperazine monohydrochloride, (2,3-dichlorophenyl)piperazine, chloride, zlchem 392, PubChem8589, SureCN246338, AGN-PC-00D0JT, ACMC-209a34, 679135_ALDRICH, CTK0H4814, ZLC0238, MolPort-001-769-710, ACN-S002575, ACN-S002576, ACT02157, ANW-17342, FC0193

Molecular Formula: C10H13Cl3N2Molecular Weight: 267.582620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CYQFNNSFAGXCEC-UHFFFAOYSA-N

• (1S,2S)-Cyclohexane-1,2-diamine
IUPAC Name: cyclohexane-1,2-diamine | CAS Registry Number: 21436-03-3
Synonyms: 1,2-Cyclohexanediamine, 1,2-Cylohexanediamine, cis-1,2-Cyclohexanediamine, 1,2-DIAMINOCYCLOHEXANE, cis-1,2-Cyclohexandiamine, Cyclohex-1,2-ylenediamine, trans-1,2-Cyclohexanediamine, cyclohexane-1,2-diamine, trans-1,2-Cyclohexaneiamine, HSDB 5748, 132551_ALDRICH, 293962_ALDRICH, (+)-S,S-1,2-Diaminocyclohexane, EINECS 211-776-7, CID4610, (1S,2S)-(+)-1,2-Diaminocyclohexane, (-)-R,R-1,2-Diaminocyclohexane, BRN 0506142, NSC362640, NSC362641

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

InChIKey: SSJXIUAHEKJCMH-UHFFFAOYSA-N

• (S)-(+)-1-Phenyl-1,2-ethanediol
IUPAC Name: (1S)-1-phenylethane-1,2-diol | CAS Registry Number: 25779-13-9
Synonyms: (S)-(+)-1-Phenylethane-1,2-diol, (S)-1-Phenylethane-1,2-diol, (1S)-1-phenylethane-1,2-diol, (S)-1-phenyl-1,2-ethanediol, (S)-(-)-1-Phenyl-1,2-ethanediol, AG-E-79635, ST51037659, (-)-Styrene glycol, (R)-(-)-Phenylethylene glycol, (+)-Styrene glycol, PubChem7148, (S)-(+)-Styreneglycol, (S)-(+)-Styrene glycol, AC1LD6Y2, SureCN1947849, KSC201S3B, 302155_ALDRICH, Jsp005095, (S)-(+)-Phenylethylene glycol, CTK1A1930

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

InChIKey: PWMWNFMRSKOCEY-MRVPVSSYSA-N

• 2-Bromobutyric Acid
IUPAC Name: 2-bromobutanoic acid | CAS Registry Number: 80-58-0
Synonyms: 2-BROMOBUTYRIC ACID, 2-Bromobutanoic acid, alpha-Bromobutyric acid, .alpha.-Bromobytyric acid, Butanoic acid, 2-bromo-, Butyric acid, 2-bromo-, .alpha.-Bromobutyric acid, WLN: QVYE2, Butyric acid, alpha-bromo-, Butyric acid, .alpha.-bromo-, 147877_ALDRICH, 16510_FLUKA, NSC8024, Butyric acid, 2-bromo- (8CI), NSC 8024, EINECS 201-294-5, AI3-52295, ST5214343, TL8005416, 2385-70-8

Molecular Formula: C4H7BrO2Molecular Weight: 167.001180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAQLSKVCTLCIIE-UHFFFAOYSA-N

• 2-Deoxy-D-Ribose
IUPAC Name: (2S,4S,5R)-oxane-2,4,5-triol | CAS Registry Number: 533-67-5
Synonyms: Thyminose, D-2-Deoxyribose, D-2-Desoxyribose, 2-Deoxy-alpha-D-ribopyranose, CHEBI:27806, ZINC00164946, 2-deoxy-alpha-D-erythro-pentopyranose, C08347

Molecular Formula: C5H10O4Molecular Weight: 134.130500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ZVQAVWAHRUNNPG-LMVFSUKVSA-N

• 1,2,3-Trimethoxy Benzene
IUPAC Name: 1,2,3-trimethoxybenzene | CAS Registry Number: 634-36-6
Synonyms: Methylsyringol, Tri-O-methylpyrogallol, Pyrogallol trimethyl ether, 1,2,3-TRIMETHOXYBENZENE, Methylsyringol (VAN), Benzene, 1,2,3-trimethoxy-, 137995_ALDRICH, 92159_FLUKA, CID12462, NSC10124, EINECS 211-207-2, NSC 10124, ZINC00152503, AI3-02077, ST5406631, TL8004419

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CRUILBNAQILVHZ-UHFFFAOYSA-N

• 1,4-Di(Trifluoromethyl)Benzene
IUPAC Name: 1,4-bis(trifluoromethyl)benzene | CAS Registry Number: 433-19-2
Synonyms: Hexafluoro-p-xylene, 1,4-Bis(trifluoromethyl)benzene, p-Bis(trifluoromethyl)benzene, Benzene, 1,4-bis(trifluoromethyl)-, 290912_ALDRICH, 1,4-Bis(trifluoromethyl)-benzene, NSC61992, EINECS 207-086-0, NSC 61992, B104, ST5307029, TL8003048, p-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene, p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro- (8CI), .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-p-xylene, InChI=1/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4

Molecular Formula: C8H4F6Molecular Weight: 214.107779 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N

• 1-Bromo 3 4 5-Trifluoro Benzene
IUPAC Name: 5-bromo-1,2,3-trifluorobenzene | CAS Registry Number: 138526-69-9
Synonyms: 1-Bromo-3,4,5-trifluorobenzene, 5-Bromo-1,2,3-trifluorobenzene, 330841_ALDRICH, JRD-0167, ST5405271, TL8000876, InChI=1/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HKJCELUUIFFSIN-UHFFFAOYSA-N

• 3,4-Difluoroaniline
IUPAC Name: 3,4-difluoroaniline | CAS Registry Number: 3863-11-4
Synonyms: 3,4-Difluorobenzenamine, Benzenamine, 3,4-difluoro-, Aniline, 3,4-difluoro-, 270237_ALDRICH, NSC10296, 36883_FLUKA, EINECS 223-381-7, Aniline, 3,4-difluoro- (6CI), CID77469, BRN 0971235, SBB007915, ZINC00388528, FR-0575, LS-28261, TL8000010, 4-12-00-01113 (Beilstein Handbook Reference)

Molecular Formula: C6H5F2NMolecular Weight: 129.107406 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AXNUZKSSQHTNPZ-UHFFFAOYSA-N

• 3-Chlorobenzotrifluoride
IUPAC Name: 1-chloro-3-(trifluoromethyl)benzene | CAS Registry Number: 98-15-7
Synonyms: M-CHLOROBENZOTRIFLUORIDE, m-Trifluoromethylphenyl chloride, Meta(trifluoromethyl)chlorobenzene, 1-Chloro-3-(trifluoromethyl)benzene, CCRIS 2810, C26208_ALDRICH, 234419_ALDRICH, Benzene, 1-chloro-3-(trifluoromethyl)-, EINECS 202-642-9, NSC 10308, NSC10308, 3-Chloro-alpha,alpha,alpha-trifluorotoluene, AI3-52623, LS-2040, m-Chloro-alpha,alpha,alpha-trifluorotoluene, NCGC00091654-01, ST5406480, TL8006035, Toluene, m-chloro-alpha,alpha,alpha-trifluoro-, m-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene

Molecular Formula: C7H4ClF3Molecular Weight: 180.554870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YTCGOUNVIAWCMG-UHFFFAOYSA-N

• 4-Aminobenzotrifluoride
IUPAC Name: 4-(trifluoromethyl)aniline | CAS Registry Number: 455-14-1
Synonyms: p-Aminobenzotrifluoride, p-Trifluoromethylaniline, 4-Trifluoromethylaniline, 4-(Trifluoromethyl)aniline, Benzenamine, 4-(trifluoromethyl)-, WLN: ZR CXFFF, 4-(Trifluoromethyl)benzenamine, Aniline, p-(trifluoromethyl)-, p-(Trifluoromethyl)aniline, 224936_ALDRICH, 07071_FLUKA, alpha,alpha,alpha-Trifluoro-p-toluidine, EINECS 207-236-5, NSC 10337, alpha,alpha,alpha-Trifluoro-p-anisidine, JRD-0149, NSC10337, BRN 1564853, SBB003956, ZINC00164442

Molecular Formula: C7H6F3NMolecular Weight: 161.124450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ODGIMMLDVSWADK-UHFFFAOYSA-N

• 2-Aminonicotinic Acid
IUPAC Name: 2-aminopyridine-3-carboxylic acid | CAS Registry Number: 5345-47-1
Synonyms: 2-Aminonicotinic acid, Nicotinic acid, 2-amino-, A68300_ALDRICH, 2-Amino-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2-amino-, 08810_FLUKA, NSC3049, 2-Aminopyridine-3-carboxylic acid, AIDS020454, CBC 500841, Nicotinic acid, 2-amino- (8CI), AIDS-020454, NSC 3049, EINECS 226-296-3, SBB004188, ZINC00331646, A181, AC-907/25014115, InChI=1/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KPIVDNYJNOPGBE-UHFFFAOYSA-N

• 3,5-Dibromofluorobenzene
IUPAC Name: 1,3-dibromo-5-fluorobenzene | CAS Registry Number: 1435-51-4
Synonyms: 1,3-Dibromo-5-fluorobenzene, 3,5-Dibromo-1-fluorobenzene, 368121_ALDRICH, ST5405503, TL80074056, InChI=1/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula: C6H3Br2FMolecular Weight: 253.894423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ASWYHZXKFSLNLN-UHFFFAOYSA-N

• 2-Chlorotoluene
IUPAC Name: 1-chloro-2-methylbenzene | CAS Registry Number: 95-49-8
Synonyms: o-Chlorotoluene, o-Tolyl chloride, Toluene, o-chloro-, 1-Chloro-2-methylbenzene, ortho-Chlorotoluene, Benzene, 1-chloro-2-methyl-, 2-Methylchlorobenzene, Halso 99, 2-Chloro-1-methylbenzene, TOLUENE,2-CHLORO, 1-METHYL-2-CHLOROBENZENE, CCRIS 7785, HSDB 5291, 47797_SUPELCO, 111910_ALDRICH, 36695_RIEDEL, NSC 8766, 26530_FLUKA, EINECS 202-424-3, NSC8766

Molecular Formula: C7H7ClMolecular Weight: 126.583480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBSQPLPBRSHTTG-UHFFFAOYSA-N


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