AG003UVX

40571-86-6 | TRANS-2-BENZYLAMINO-1-CYCLOHEXANOL

AG003UVX

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CAS Number	40571-86-6
Catalog Number	AG003UVX(AGN-PC-0ROCM5)
Chemical Name	TRANS-2-BENZYLAMINO-1-CYCLOHEXANOL
IUPAC Name	(1R,2R)-2-(benzylamino)cyclohexan-1-ol
InChI	InChI=1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1
InChI Key	NJNCYFUGUYIMEQ-CHWSQXEVSA-N
MDL Number	MFCD00145421
Molecular Formula	C13H19NO
Molecular Weight	205.2961
SMILES	O[C@H]1[C@H](NCC2=CC=CC=C2)CCCC1
Synonyms	(1R,2R)-2-(benzylamino)cyclohexanol, 40571-86-6, trans-2-(Benzylamino)cyclohexanol, trans-2-Benzylamino-1-cyclohexanol, (1R,2R)-2-(benzylamino)cyclohexan-1-ol, 141553-09-5, MFCD00145421, Cyclohexanol, 2-[(phenylmethyl)amino]-, (1R-trans)-, 2-Benzylamino-Cyclohexanol, trans-2-Benzylamino-cyclohexanol, PubChem19547, AC1MC5DT, AC1Q59IT, SCHEMBL697762, CTK4I3355, NJNCYFUGUYIMEQ-CHWSQXEVSA-N, AA288, KS-00000U4W, Trans-2-Benzylaminocyclohexan-1-ol, ZINC3161328, ANW-57501, MFCD09996881, AKOS016842843, AB03954, CB-1497, EBD1837908, GS-5653, OR13972, RL03561, (1R,2R)-2-Benzylamino-1-cyclohexanol, 2alpha-(Benzylamino)cyclohexan-1beta-ol, AJ-44621, SC-40582, (1RS,2RS)-trans-2-benzylaminocyclohexanol, AB0047738, TC-146246, FT-0655081, ST24033544, V3109, Z-3730, 571B866, J-524993, Cyclohexanol,2-[(phenylmethyl)amino]-, (1R,2R)-rel-, C13H19NO, 2-(benzylamino)cyclohexan-1-ol, (1S,2S)-2-(benzylamino)cyclohexanol, CB11527, CID2724650,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	205.147g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.301g/mol
Monoisotopic Mass	205.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
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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