AG003IUR

68208-21-9 | 3-Amino-3-(3-chlorophenyl)propanoic acid

AG003IUR

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CAS Number	68208-21-9
Catalog Number	AG003IUR(AGN-PC-0TRPLB)
Chemical Name	3-Amino-3-(3-chlorophenyl)propanoic acid
IUPAC Name	3-amino-3-(3-chlorophenyl)propanoic acid
InChI	InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key	LIDRHPCWOYOBIZ-UHFFFAOYSA-N
MDL Number	MFCD00463160
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	O=C(O)CC(N)C1=CC=CC(Cl)=C1
Synonyms	3-amino-3-(3-chlorophenyl)propanoic acid, 68208-21-9, 3-Amino-3-(3-chloro-phenyl)-propionic acid, dl-beta-(3-chlorophenyl)alanine, 3-amino-3-(3-chlorophenyl)propionic acid, 3-(3-chlorophenyl)-dl-beta-alanine, MFCD00463160, ZERO/005095, AC1MC9EL, Oprea1_335677, Oprea1_788492, DL-A-(3-Chlorophenyl)alanine, AC1Q508H, AC1Q508I, SCHEMBL1198080, CTK5C7528, KS-00001YRL, DTXSID60377341, LIDRHPCWOYOBIZ-UHFFFAOYSA-N, ALBB-007545, BBL013290, SBB002511, STK504613, AKOS000196938, AKOS016045542, AB06139, CC-1184, MCULE-3483759907, 3-(3-CHLOROPHENYL)-BETA-ALANINE, AK111350, Benzenepropanoic acid, b-amino-3-chloro-, SY007324, (+/-)-3-(3-chlorophenyl)-beta-alanine, 3-amino-3-(3-chlorophenyl)-propionic acid, AB0075763, ST4105001, TR-022826, 4CH-009807, FT-0614943, TL80073797, EN300-52901, MFCD00463160 (95%), W-7087, (r,s)-3-amino-(3-3'chlorophenyl)propanoic acid, dl-3-amino-3-(3-chloro-phenyl)-propionic acid, 6R-0641, I04-5528, Z810541796, (r)-3-(3-chlorophenyl)-beta-alanine, (s)-3-amino-3-(3-chlorophenyl)propanoic acid, CID2764178, 3-Amino-3-(3-chlorophenyl)propanoicacid, 3-amino-3-(3-bromophenyl)propanoic acid, S-3-Amino-3-(3-chloro-phenyl)-propionic acid, (R)-3-Amino-3-(3-chloro-phenyl)-propionic acid, 774178-18-6, 262429-49-2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

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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