AG00C383

213178-94-0 | 3-Cyclohexyl-D-alanine Hydrate

AG00C383

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CAS Number	213178-94-0
Catalog Number	AG00C383(AGN-PC-0WANSA)
Chemical Name	3-Cyclohexyl-D-alanine Hydrate
IUPAC Name	(2R)-2-amino-3-cyclohexylpropanoic acid;hydrate
InChI	InChI=1S/C9H17NO2.H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h7-8H,1-6,10H2,(H,11,12);1H2/t8-;/m1./s1
InChI Key	HDJQIWAIDCEDEF-DDWIOCJRSA-N
MDL Number	MFCD00153485
Molecular Formula	C9H19NO3
Molecular Weight	189.2521
SMILES	O=C(O)[C@H](N)CC1CCCCC1.[H]O[H]
Synonyms	3-Cyclohexyl-D-alanine hydrate, 213178-94-0, (R)-2-Amino-3-cyclohexylpropanoic acid hydrate(1:x), (R)-2-Amino-3-cyclohexylpropanoic acid hydrate, C9H17NO2.H2O, CTK8C5945, 5329AH, MFCD00217056, AKOS027252939, TC-169667, EN300-203270, 3-Cyclohexyl-D-alanine hydrate, >=99.0% (calc. based on dry substance, NT), ~1 mol/mol water, 58717-02-5,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	189.136g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	189.255g/mol
Monoisotopic Mass	189.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number