AG00CLSF

3803-25-6 | 1-(3-Trifluoromethylphenyl)ethanamine hydrochloride

AG00CLSF

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CAS Number	3803-25-6
Catalog Number	AG00CLSF(AGN-PC-0RF9HT)
Chemical Name	1-(3-Trifluoromethylphenyl)ethanamine hydrochloride
IUPAC Name	1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
InChI	InChI=1S/C9H10F3N.ClH/c1-6(13)7-3-2-4-8(5-7)9(10,11)12;/h2-6H,13H2,1H3;1H
InChI Key	XJVAGOCFOAYRDT-UHFFFAOYSA-N
MDL Number	MFCD22421524
Molecular Formula	C9H11ClF3N
Molecular Weight	225.6385
SMILES	Cl.FC(C=1C=C(C=CC1)C(C)N)(F)F
Synonyms	3803-25-6, 1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride, 1-(3-TRIFLUOROMETHYLPHENYL)ETHANAMINE HCL, AK-45107, SCHEMBL7787892, KS-00000TPQ, MFCD22421524, AKOS016396013, MCULE-3890014420, AK544249, DS-19306, 1-(3-(Trifluoromethyl)phenyl)ethanamine HCl, 4CH-018997, 4CH-019577, V5598, K-8324, (1R)-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride, (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride, C9H10F3N.HCl, ACN-055041, (S)-1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride, (R)-1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride, 1213939-94-6, 1213630-93-3, 1-[3-(Trifluoromethyl)phenyl]ethylamine Hydrochloride, (S)-1-[3-(Trifluoromethyl)phenyl]ethylamine 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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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