AG003BIZ

322407-34-1 | (1S,2S)-2-(Benzylamino)cyclohexanol

AG003BIZ

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CAS Number	322407-34-1
Catalog Number	AG003BIZ(AGN-PC-0O8WI2)
Chemical Name	(1S,2S)-2-(Benzylamino)cyclohexanol
IUPAC Name	(1S,2S)-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-/m0/s1
InChI Key	NJNCYFUGUYIMEQ-STQMWFEESA-N
MDL Number	MFCD10566419
Molecular Formula	C13H19NO
Molecular Weight	205.2961
SMILES	O[C@H]1CCCC[C@@H]1NCC1=CC=CC=C1
Synonyms	(1S,2S)-2-(benzylamino)cyclohexanol, 322407-34-1, (1S,2S)-2-(benzylamino)cyclohexan-1-ol, Cyclohexanol, 2-[(phenylmethyl)amino]-, (1S,2S)-, trans-2-Benzylamino-cyclohexanol, PubChem24083, AC1OET5S, SCHEMBL697761, CTK8C1971, DTXSID70427548, ZINC2517004, ANW-67543, MFCD10566419, AKOS015915168, (1S,2S)-2-Benzylamino-1-cyclohexanol, 2beta-(Benzylamino)cyclohexan-1alpha-ol, AJ-37013, AK-88110, DS-18432, DB-022097, TC-156288, FT-0773562, ST24033637, B67141, Z-3719, I14-6652, F6545-4244, 2-(benzylamino)cyclohexan-1-ol, CID7038923,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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