AG00G4EC

82017-30-9 | (S)-2-(Cyclohexylamino)propanoic acid

AG00G4EC

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CAS Number	82017-30-9
Catalog Number	AG00G4EC(AGN-PC-0OIN3C)
Chemical Name	(S)-2-(Cyclohexylamino)propanoic acid
IUPAC Name	(2S)-2-(cyclohexylamino)propanoic acid
InChI	InChI=1S/C9H17NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChI Key	BVAUMRCGVHUWOZ-ZETCQYMHSA-N
MDL Number	MFCD16039417
Molecular Formula	C9H17NO2
Molecular Weight	171.2368
SMILES	C[C@H](NC1CCCCC1)C(O)=O
Synonyms	cyclohexylalanine, cyclohexylalanine hydrochloride, cyclohexylalanine, (+-)-isomer, cyclohexylalanine, (R)-isomer, cyclohexylalanine, (S)-isomer, L-cyclohexylalanine, Cyclohexylalanine, (S)-2-(Cyclohexylamino)propanoic acid, (S)-CYCLOHEXYLALANINE, 82017-30-9, (S)-(+)-Cyclohexylalanine, Z-L-cyclohexylalanine, cyclohexyl-l-alanine, (2S)-2-(cyclohexylamino)propanoic acid, SCHEMBL38558, DTXSID40475617, BVAUMRCGVHUWOZ-ZETCQYMHSA-N, BCP13867, ZINC1742216, ANW-26224, MFCD16039417, AKOS015918354, AM83644, RP23359, AJ-31385, BR-34483, DS-17358, SC-03069, SC-11090, (S)-2-Amino-3-cyclohexane-propanoic acid, Z-BETA-CYCLOHEXYL-D-ALANINE, 99%, DB-005565, TC-114969, S-1495, 33785-EP2295055A2, 33785-EP2311453A1, I14-8215, D-Cyclohexylalanine, DL-Cyclohexylalanine, L-Cyclohexylalanine, Z-D-Cha-OH, NSC206254, (S)-2-(Cyclohexylamino)propanoicacid, 27527-05-5, CID12003067, 58717-02-5, 154802-74-1, 25341-42-8,

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	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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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