AG0072ME

42365-62-8 | 3,5-Bis(trifluoromethyl)benzylamine, HCl

AG0072ME

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CAS Number	42365-62-8
Catalog Number	AG0072ME(AGN-PC-0WA1YS)
Chemical Name	3,5-Bis(trifluoromethyl)benzylamine, HCl
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]methanamine;hydrochloride
InChI	InChI=1S/C9H7F6N.ClH/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15;/h1-3H,4,16H2;1H
InChI Key	OKJHHGNJFKHGRZ-UHFFFAOYSA-N
MDL Number	MFCD00009909
Molecular Formula	C9H8ClF6N
Molecular Weight	279.6099
SMILES	Cl.NCC1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1
Synonyms	42365-62-8, (3,5-bis(trifluoromethyl)phenyl)methanamine hydrochloride, 3,5-Bis(trifluoromethyl)benzylaminehydrochloride, 3,5-Bis(trifluoromethyl)benzylamine hydrochloride, Q-102403, 3,5-Bis(trifluoromethyl)benzylamineHCl, [3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANAMINE HYDROCHLORIDE, C9H8ClF6N, SCHEMBL2898331, CTK8C4725, KS-00000KVP, DTXSID20595125, OKJHHGNJFKHGRZ-UHFFFAOYSA-N, ACT12975, ANW-72925, MFCD03001701, AKOS015847605, AM61970, CB-3064, DS-1826, MB02546, VZ34898, 3,5-Bis(trifluoromethyl)benzylamine, HCl, AK-86186, SC-23868, AB0024865, AX8037380, DB-012577, TC-061235, 4CH-013792, FT-0657366, W6219, EN300-204753, M-8663, 3,5-bis(trifluoromethyl)-benzylamine hydrochloride, 1-[3,5-Bis(trifluoromethyl)phenyl]methanamine hydrochloride, Benzenemethanamine, 3,5-bis(trifluoromethyl)-, hydrochloride (1:1), Benzenemethanamine,3,5-bis(trifluoromethyl)-, hydrochloride (1:1), 1-[3,5-Bis(trifluoromethyl)phenyl]methanamine--hydrogen chloride (1/1), (3,5-Bis(trifluoromethyl)phenyl)methanaminehydrochloride,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.025g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.61g/mol
Monoisotopic Mass	279.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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