AG00IBBP

641571-11-1 | Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-

AG00IBBP

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CAS Number	641571-11-1
Catalog Number	AG00IBBP(AGN-PC-00JLUU)
Chemical Name	Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-
EC Number	688-269-6
IUPAC Name	3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
InChI	InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
InChI Key	WWTGXYAJVXKEKL-UHFFFAOYSA-N
MDL Number	MFCD11846236
Molecular Formula	C11H10F3N3
Molecular Weight	241.2124
SMILES	CC1=C[N](C=N1)C2=CC(=CC(=C2)N)C(F)(F)F
UNII	5LLI0Q7APP
Synonyms	3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, 641571-11-1, Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-, 1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole, 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, AK-38398, 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZENAMINE, Q-101351, 3-(4-Methyl-1-imidazolyl)-5-(trifluoromethyl)aniline, 3-(4-methyl-1H-imidazole-1-yl)-5-(trifluoromethyl)aniline, 3-(TRIFLUOROMETHYL)-5-(4-METHYL-1H-IMIDAZOL-1-YL)BENZENAMINE, WWTGXYAJVXKEKL-UHFFFAOYSA-N, UNII-5LLI0Q7APP, 5LLI0Q7APP, SCHEMBL589390, BEN745, SCHEMBL1505804, CTK2F2674, DTXSID10475604, BCP04529, KS-00000I1E, ZX-AP010505, ANW-54160, MFCD11846236, PC6078, SBB070660, ZINC84397771, AKOS015842181, AC-8508, AN-6810, CM-1557, CS-W019667, GS-4414, HCH0020409, MB10071, RP28481, BR-38398, SC-55299, SY015266, AB0044026, AB1004626, AX8163145, ST2410364, TR-022007, 4CH-008881, A8805, AM20090650, FT-0655008, M2634, MFCD11846236 (98%), S-4532, 571M111, I01-1257, 3-(4-methylimidazolyl)-5-(trifluoromethyl)phenylamine, 3-(trifluoromethyl)-5-(4-methyl-1H-imidazol-1-yl)b, 1-[3-Amino-5-(trifluoromethyl)phenyl]-4-methylimidazole, 3-(4-Methyl-1H-imidazol-1-yl)-5-trifluoromethylaniline, 3-(4-methylimidazol-1-yl)-5-trifluoromethyl-phenylamine, 3-(4-methylimidazol-1-yl)-5-trifluoromethylphenylamine, 3-(4-Methyl-1H-imidazol-1yl)-5-(trifluoromethyl)aniline, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzeneamine, 5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)-benzenamine, 5-(4-Methyl-1H-imidazol-1-yl)-3-trifluoromethyl-phenylamine, 3-(4-METHYL-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYL-PHENYLAMINE, 3- -5- aniline, Nilotinib Genotoxic Impurity 1, C11H10F3N3, ACN-040277, CS-O-12088, CID12002825, EC 688-269-6,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.083g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.217g/mol
Monoisotopic Mass	241.083g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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