AG01DU6O

315-43-5 | 2,2,2-TRIFLUORO-1-O-TOLYL-ETHYLAMINE hydrochloride

AG01DU6O

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CAS Number	315-43-5
Catalog Number	AG01DU6O
Chemical Name	2,2,2-TRIFLUORO-1-O-TOLYL-ETHYLAMINE hydrochloride
IUPAC Name	2,2,2-trifluoro-1-(2-methylphenyl)ethanamine;hydrochloride
InChI	InChI=1S/C9H10F3N.ClH/c1-6-4-2-3-5-7(6)8(13)9(10,11)12;/h2-5,8H,13H2,1H3;1H
InChI Key	IWPCTLVNAZQVOX-UHFFFAOYSA-N
MDL Number	MFCD22581454
Molecular Formula	C9H11ClF3N
Molecular Weight	225.6385
SMILES	CC1=CC=CC=C1C(N)C(F)(F)F.[H]Cl
Synonyms	315-43-5, 2,2,2-Trifluoro-1-(o-tolyl)ethanamine hydrochloride, AKOS032954244, (R)-2,2,2-TRIFLUORO-1-(O-TOLYL)ETHANAMINE HCL, (S)-2,2,2-TRIFLUORO-1-(O-TOLYL)ETHANAMINE HCL, 2,2,2-TRIFLUORO-1-O-TOLYL-ETHYLAMINE hydrochloride, 2,2,2-trifluoro-1-o-tolylethanamine hydrochloride,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	225.639g/mol
Monoisotopic Mass	225.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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