AG00GG8P

75703-08-1 | (S)-1-Cyclohexyl-2,2,2-trifluoroethylamine

AG00GG8P

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CAS Number	75703-08-1
Catalog Number	AG00GG8P(AGN-PC-0WCXWT)
Chemical Name	(S)-1-Cyclohexyl-2,2,2-trifluoroethylamine
IUPAC Name	(1S)-1-cyclohexyl-2,2,2-trifluoroethanamine
InChI	InChI=1S/C8H14F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7H,1-5,12H2/t7-/m0/s1
InChI Key	HTJYTQSIEXSPGU-ZETCQYMHSA-N
MDL Number	MFCD08058820
Molecular Formula	C8H14F3N
Molecular Weight	181.1987
SMILES	N[C@@H](C1CCCCC1)C(F)(F)F
Synonyms	75703-08-1, (S)-1-Cyclohexyl-2,2,2-trifluoroethylamine, (S)-1-Cyclohexyl-2,2,2-trifluoro-ethylamine, (S)-1-Cyclohexyl-2,2,2-trifluoroethanamine, (1S)-1-Cyclohexyl-2,2,2-trifluoroethan-1-amine, SCHEMBL17818743, DTXSID30679329, FCH858003, MFCD08058820, ZINC44138945, AS-40162, AB0079583, AX8267048, X-1373, S14-2335, ACN-054891, (S)-1-cyclohexyl-2,2,2-trifluoroethan-1-amine,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	181.108g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.202g/mol
Monoisotopic Mass	181.108g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H312-H314-H332
Packing Group	Ⅲ
Precautionary statements	P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
UN Code	UN 2735

Certificate of Analysis

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