AG000ZKP

131690-61-4 | Benzenepropanoic acid, β-amino-4-chloro-, (βR)-

AG000ZKP

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CAS Number	131690-61-4
Catalog Number	AG000ZKP(AGN-PC-0PJK7Q)
Chemical Name	Benzenepropanoic acid, β-amino-4-chloro-, (βR)-
IUPAC Name	(3R)-3-amino-3-(4-chlorophenyl)propanoic acid
InChI	InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChI Key	BXGDBHAMTMMNTO-MRVPVSSYSA-N
MDL Number	MFCD03840387
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	O=C(O)C[C@@H](N)C1=CC=C(Cl)C=C1
Synonyms	131690-61-4, (r)-3-amino-3-(4-chlorophenyl)propanoic acid, (R)-3-Amino-3-(4-chloro-phenyl)-propionic acid, (3R)-3-amino-3-(4-chlorophenyl)propanoic acid, (r)-3-(p-chlorophenyl)-beta-alanine, (r)-beta-(p-chlorophenyl)alanine, h-d-beta-phe(4-cl)-oh, h-phg(4-cl)-(c*ch2)oh, (r)-4-chloro-beta-phenylalanine, (r)-3-amino-3-(4-chlorophenyl)propionic acid, (r)-b-(p-chlorophenyl)-b-alanine, benzenepropanoic acid, beta-amino-4-chloro-, (betar)-, R-3-Amino-3-(4-chloro-phenyl)-propionic acid, (r)-3-amino-3-(4-chloro-phenyl)propionic acid, 4-CHLORO-D-BETA-HOMOPHENYLGLYCINE, (S)-BETA-(4-CHLOROPHENYL)ALANINE, PubChem14200, Benzenepropanoic acid, b-amino-4-chloro-, (bR)-, AC1LED0G, SCHEMBL5721009, (R)- -(p-Chlorophenyl)alanine, CTK4B7450, ZINC50678, DTXSID60350619, l-beta-homo(4-chlorophenyl)glycine, ACT05007, MFCD03840387, AKOS016842290, AB16416, AC-6662, AN-9766, AS06721, DS-0816, FS-2273, RTR-004333, KS-00001G56, AJ-09103, BR-33109, SC-21367, AB0035458, DB-029877, TR-004333, FT-0630154, ST24026422, TL80073805, X9801, S-3197, (R)-3-amino-3-(4-chlorophenyl)-propanoic acid, (r)-3-amino-3-(4-chloro-phenyl)-propanoic acid, 690A614, (r)-beta-4-chlorophenylalanine, C9H10ClNO2, cc-544, (R)-?-4-Chlorophenylalanine, h-d-phg(4-cl)-(c*ch2)oh, (S)-beta-(p-Chlorophenyl)alanine, CID684222, NSC400947, ACN-025957, (R)-3-Amino-3-(4-chlorophenyl)propanoicacid, (S)-2-amino-3-(4-chlorophenyl)propanoic acid, A13548, (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid, 131690-60-3,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	199.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	199.634g/mol
Monoisotopic Mass	199.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

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

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