AG019KH6

56287-83-3 | 3-(trifluoromethyl)cyclohexan-1-amine, Mixture of diastereomers

AG019KH6

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CAS Number	56287-83-3
Catalog Number	AG019KH6(AGN-PC-00UXQR)
Chemical Name	3-(trifluoromethyl)cyclohexan-1-amine, Mixture of diastereomers
IUPAC Name	3-(trifluoromethyl)cyclohexan-1-amine
InChI	InChI=1S/C7H12F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6H,1-4,11H2
InChI Key	FFCACAFKNHPVNI-UHFFFAOYSA-N
MDL Number	MFCD08444665
Molecular Formula	C7H12F3N
Molecular Weight	167.1721
SMILES	C(F)(F)(F)C1CC(N)CCC1
Synonyms	3-(trifluoromethyl)cyclohexanamine, 23566-61-2, 3-(Trifluoromethyl)cyclohexan-1-amine, 56287-83-3, 3-(Trifluoromethyl)cyclohexylamine, 764594-44-7, (1S,3S)-3-(trifluoromethyl)cyclohexan-1-amine, cis-3-(Trifluoromethyl)cyclohexan-1-amine, ACMC-1COSX, AC1Q53EI, 3-trifluoromethylcyclohexylamine, SCHEMBL3126075, 3-trifluoromethyl-cyclohexylamine, DTXSID60585449, FFCACAFKNHPVNI-UHFFFAOYSA-N, ANW-25147, MFCD08444665, AKOS009115116, MCULE-3966927245, BS-13420, DB-006258, ST2404855, TC-113892, FT-0753783, V4575, EN300-26926, K-6431, F8880-4463, Z228586630, 3-(trifluoromethyl)cyclohexan-1-amine, Mixture of diastereomers, 3-(Trifluoromethyl)aniline, C7H12F3N, Cyclohexanamine, 3-(trifluoromethyl)-, 98-16-8,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.092g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.175g/mol
Monoisotopic Mass	167.092g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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