AG0017CS

122509-22-2 | Benzenemethanamine, 4-amino-2-(trifluoromethyl)-

AG0017CS

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CAS Number	122509-22-2
Catalog Number	AG0017CS(AGN-PC-0BEP59)
Chemical Name	Benzenemethanamine, 4-amino-2-(trifluoromethyl)-
IUPAC Name	4-(aminomethyl)-3-(trifluoromethyl)aniline
InChI	InChI=1S/C8H9F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,4,12-13H2
InChI Key	KVGJSASELAQLPO-UHFFFAOYSA-N
MDL Number	MFCD06212668
Molecular Formula	C8H9F3N2
Molecular Weight	190.1657
SMILES	NC1=CC=C(CN)C(C(F)(F)F)=C1
Synonyms	4-(Aminomethyl)-3-(trifluoromethyl)aniline, 122509-22-2, Benzenemethanamine, 4-amino-2-(trifluoromethyl)-, 4-Amino-2-trifluoromethylbenzyl amine, 4-amino-2-(trifluoromethyl)Benzenemethanamine, SCHEMBL545969, CTK8E1792, KVGJSASELAQLPO-UHFFFAOYSA-N, KS-000009WC, 5985AJ, MFCD06212668, ZINC44236520, AKOS011384033, TRA0071532, AS-32502, DA-18020, SY018406, AJ-109612, TC-307540, FT-0720343, Z-4448, MFCD06212668 (95+%), C8H9F3N2, 64694-83-3,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.072g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.169g/mol
Monoisotopic Mass	190.072g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3259

Certificate of Analysis

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