AG00312Y

307310-72-1 | Cyclohexanepropanoic acid, α-amino-, hydrate (1:1), (αS)-

AG00312Y

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CAS Number	307310-72-1
Catalog Number	AG00312Y(AGN-PC-0R65RU)
Chemical Name	Cyclohexanepropanoic acid, α-amino-, hydrate (1:1), (αS)-
IUPAC Name	(2S)-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-;/m0./s1
InChI Key	HDJQIWAIDCEDEF-QRPNPIFTSA-N
MDL Number	MFCD00153484
Molecular Formula	C9H19NO3
Molecular Weight	189.2521
SMILES	N[C@@H](CC1CCCCC1)C(O)=O.[H]O[H]
Synonyms	307310-72-1, 3-Cyclohexyl-L-alanine hydrate, (S)-2-Amino-3-cyclohexylpropanoic acid hydrate, (S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate, 3-Cyclohexyl-L-alanine, C9H17NO2.H2O, SCHEMBL2651079, DTXSID40583367, HDJQIWAIDCEDEF-QRPNPIFTSA-N, 5330AH, MFCD03703498, AKOS024257966, OR52577, 3-Cyclohexyl-L-alanine--water (1/1), KS-000002G4, ACM307310721, DS-13052, CS-0042555, FT-0692137, (S)-(+)-|A-Aminocyclohexanepropionic acid hydrate, Cyclohexanepropanoic acid, alpha-amino-, hydrate (1:1), (alphaS)-, (S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate, technical grade, 3-CYCLOHEXYL-L-ALANINEHYDRATE, (S)-(+)-alpha-Amino cyclohexane propionic acid hydrate,

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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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