AG01DU7P

1241683-05-5 | (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethylamine

AG01DU7P

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CAS Number	1241683-05-5
Catalog Number	AG01DU7P
Chemical Name	(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethylamine
IUPAC Name	(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
InChI	InChI=1S/C9H9F4N/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13/h2-5H,14H2,1H3/t5-/m0/s1
InChI Key	JGOIWTAAYYAMKP-YFKPBYRVSA-N
MDL Number	MFCD06762189
Molecular Formula	C9H9F4N
Molecular Weight	207.1681
SMILES	N[C@@H](C)C1=CC=C(C(F)(F)F)C(F)=C1
Synonyms	(S)-1-(3-Fluoro-4-(trifluoromethyl)phenyl)ethanamine, (1S)-1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethylamine, 1415257-78-1, MFCD06762189, ZINC83592974, FCH3647770, AX8297289, 1241683-05-5,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	207.067g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.172g/mol
Monoisotopic Mass	207.067g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501
UN Code	UN 2735

Certificate of Analysis

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