AG003C2D

5913-13-3 | Cyclohexanemethanami​ne, α-​methyl-​, (αR)​-

AG003C2D

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CAS Number	5913-13-3
Catalog Number	AG003C2D(AGN-PC-0SRE3T)
Chemical Name	Cyclohexanemethanami​ne, α-​methyl-​, (αR)​-
EC Number	227-634-2
IUPAC Name	(1R)-1-cyclohexylethanamine
InChI	InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m1/s1
InChI Key	XBWOPGDJMAJJDG-SSDOTTSWSA-N
MDL Number	MFCD00043338
Molecular Formula	C8H17N
Molecular Weight	127.2273
SMILES	[C@H](C)(N)C1CCCCC1
Synonyms	(R)-(-)-1-Cyclohexylethylamine, 5913-13-3, (R)-1-cyclohexylethylamine, (R)-1-Cyclohexylethanamine, (1R)-1-cyclohexylethanamine, (1R)-1-cyclohexylethylamine, CHEMBL19290, (1R)-1-cyclohexylethan-1-amine, XBWOPGDJMAJJDG-SSDOTTSWSA-N, MFCD00043338, 1-Cyclohexyl-ethylamine, 1-Cyclohexylethanamine #, R-(-)-Cyclohexylethylamine, (r)-1-cyclohexylethan-1-amine, Cyclohexanemethanamine, .alpha.-methyl-, (R)-, SCHEMBL56860, (R)-1-cyclohexyl-ethylamine, (r)-1-cyclohexyl ethyl amine, (1R)-1-cyclohexyl-ethylamine, AC1Q299X, (1R)-1-Cyclohexyl-1-ethylamine, (1R)-1-amino-1-cyclohexylethane, ZINC901370, ANW-75619, BDBM50028631, SBB028230, (S)-(+)-(1-Aminoethyl)cyclohexane, AKOS006340927, AKOS015840763, ( poundO)-(-)-1-Cyclohexylethylamine, AM81440, (R)-(-)-|A-Methylcyclohexanemethylamine, (R)-(-)-1-Cyclohexylethylamine, 98%, AJ-24356, AS-41202, (alphaR)-alpha-methylcyclohexanemethanamine, (R)-(-)-alpha-Methylcyclohexanemethylamine, DB-018057, TC-164364, FT-0605033, X7626, (R)-(-)-1-Cyclohexylethylamine, ChiPros, ee 94+%, (R)-(-)-1-Cyclohexylethylamine, ChiPros(R), produced by BASF, 99%, (R)-(-)-1-Cyclohexylethylamine, purum, >=98.0% (sum of enantiomers, GC), 1-Cyclohexylethanamine, - -1-Cyclohexylethylamine, C8H17N, (R)-alpha-Cyclohexanemethylamine, (S)-(+)-1-Cyclohexylethylamine, C8-H17-N, EINECS 227-634-2, ACN-054991, CID10997046, C1531, 17430-98-7,

Complexity	74.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	127.136g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.231g/mol
Monoisotopic Mass	127.136g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(3)
Hazard statements	H226-H302+H312-H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2734

Certificate of Analysis

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