AG003OX3

71581-93-6 | (-)-cis-2-Benzylaminocyclohexanemethanol

AG003OX3

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CAS Number	71581-93-6
Catalog Number	AG003OX3(AGN-PC-0OH0DT)
Chemical Name	(-)-cis-2-Benzylaminocyclohexanemethanol
IUPAC Name	[(1S,2R)-2-(benzylamino)cyclohexyl]methanol
InChI	InChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m1/s1
InChI Key	BRQFIORUNWWNBM-ZIAGYGMSSA-N
MDL Number	MFCD00151396
Molecular Formula	C14H21NO
Molecular Weight	219.3226
SMILES	OC[C@@H]1[C@H](NCC2=CC=CC=C2)CCCC1
Synonyms	71581-93-6, cis-(1S,2R)-(-)-2-(Benzylamino)cyclohexanemethanol, MFCD00151396, (-)-cis-2-Benzylaminocyclohexanemethanol, PubChem7943, ((1S,2R)-2-(Benzylamino)cyclohexyl)methanol, [(1S,2R)-2-(benzylamino)cyclohexyl]methanol, AC1LGY09, AC1Q77SG, SCHEMBL249579, CTK8F8675, ZINC395566, SC-06472, FT-0604556, 2alpha-(Benzylamino)cyclohexane-1alpha-methanol, (-)-N-Benzyl-cis-2-hydroxymethylcyclohexylamine, (1S,2R)-cis-2-(Benzylamino)cyclohexanemethanol, cis-(1s,2r)-(-)-2-benzylaminocyclohexanemethanol, (-)Cis-N-Benzyl-2-(hydroxymethyl) cyclohexylamine, (1S,2R)-(-)-cis-[2-(Benzylamino)cyclohexyl]methanol, Cyclohexanemethanol,2-[(phenylmethyl)amino]-,(1S,2R)-, cis-(1S,2R)-(-)-2-(Benzylamino)cyclohexanemethanol, 99%, [2-(Benzylamino)cyclohexyl]methanol, CID853690, -CIS-2-BENZYLAMINOCYCLOHEXANEMETHANOL, B1118, cis-(1S,2R)-(?)-2-(Benzylamino)cyclohexanemethanol, 77647-26-8,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	219.162g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	219.328g/mol
Monoisotopic Mass	219.162g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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