AG002U04

27527-05-5 | Cyclohexanepropanoic acid, α-amino-, (αS)-

AG002U04

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CAS Number	27527-05-5
Catalog Number	AG002U04(AGN-PC-0R3B7T)
Chemical Name	Cyclohexanepropanoic acid, α-amino-, (αS)-
IUPAC Name	(2S)-2-amino-3-cyclohexylpropanoic acid
InChI	InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChI Key	ORQXBVXKBGUSBA-QMMMGPOBSA-N
MDL Number	MFCD03703498
Molecular Formula	C9H17NO2
Molecular Weight	171.2368
SMILES	O=C(O)[C@@H](N)CC1CCCCC1
UNII	GYR4SF0FVQ
Synonyms	cyclohexylalanine, cyclohexylalanine hydrochloride, cyclohexylalanine, (+-)-isomer, cyclohexylalanine, (R)-isomer, cyclohexylalanine, (S)-isomer, L-cyclohexylalanine, 27527-05-5, (S)-2-amino-3-cyclohexylpropanoic acid, L-Cyclohexylalanine, H-Cha-OH, (2S)-2-amino-3-cyclohexylpropanoic acid, 3-Cyclohexyl-L-alanine, L-3-Cyclohexylalanine, (S)-2-Amino-3-cyclohexylpropionic acid, BETA-CYCLOHEXYL-ALANINE, L-beta-Cyclohexylalanine, GYR4SF0FVQ, UNII-GYR4SF0FVQ, CHEMBL383208, Cyclohexanepropanoic acid, alpha-amino-, (alphaS)-, MFCD00153484, 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, 3-cyclohexylalanine, b-cyclohexyl alanine, beta-cyclohexylalanine, PubChem5760, beta-cyclohexyl alanine, AC1LEHTM, AC1Q5QKA, beta-cyclohexyl-l-alanine, Maybridge4_003592, 3-Cyclohexylalanine, L-, SCHEMBL123134, AC1Q4U81, DTXSID60351883, ORQXBVXKBGUSBA-QMMMGPOBSA-N, HMS1531D06, KS-00000MU7, ANW-75380, BDBM50179725, CC-870, SBB065823, ZINC12368795, AKOS012010911, CS-W002450, DB02884, MCULE-8551085565, (S)-alpha-Aminocyclohexanepropionic acid, AC-25312, AJ-61738, AS-18258, (2S)-2-azanyl-3-cyclohexyl-propanoic acid, AB0023906, ST2414592, TC-164125, FT-0080170, FT-0611057, W5061, 27C055, A819103, J-502485, UNII-3B09YU0I30 component ORQXBVXKBGUSBA-QMMMGPOBSA-N, HAC, Cyclohexylalanine, Cyclohexanealanine, (S)-CYCLOHEXYLALANINE, D-3-Cyclohexylalanine, D00XUE, (S)-(+)-Cyclohexylalanine, C9H17NO2, 2-amino-3-cyclohexylpropanoic acid, AR-1F2873, CID712421, ACN-034094, CB12068, 27702-18-7, 58717-02-5, cha,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	171.126g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	171.24g/mol
Monoisotopic Mass	171.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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

Lot Number