AG005YL9

68208-17-3 | 3-Amino-3-(m-tolyl)propanoic acid

AG005YL9

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CAS Number	68208-17-3
Catalog Number	AG005YL9(AGN-PC-0KKOPP)
Chemical Name	3-Amino-3-(m-tolyl)propanoic acid
IUPAC Name	3-amino-3-(3-methylphenyl)propanoic acid
InChI	InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChI Key	HMLYKNGYKKJNLC-UHFFFAOYSA-N
MDL Number	MFCD01871312
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	NCC(C1=CC=CC(C)=C1)C(O)=O
Synonyms	3-amino-3-(3-methylphenyl)propanoic acid, 68208-17-3, 3-amino-3-m-tolyl-propionic acid, 3-amino-3-(3-methyl-phenyl)propionic acid, dl-3-amino-3-(3-methyl-phenyl)-propionic acid, (r)-3-(m-tolyl)-beta-alanine, Bionet2_001143, DL-beta-(3-Methylphenyl)alanine, Benzenepropanoic acid, b-amino-3-methyl-, (bR)-, AC1Q2GYS, AC1MC9L9, SCHEMBL2858374, 3-amino-3-m-tolylpropanoic acid, CTK5C7526, DTXSID10377391, HMLYKNGYKKJNLC-UHFFFAOYSA-N, HMS1367D21, ACT05213, ALBB-007549, BCP11619, MFCD01871312, STK501150, AKOS000184531, AKOS016340113, AB10462, CM-1098, MCULE-6651051129, DA-18316, SY026386, 3-Amino-3-(3-methylphenyl)propionic acid, AB0065750, ST2404877, TR-022823, 3-Amino-3-(3-methyl-phenyl)-propionic acid, 4CH-017906, BB 0249712, FT-0630073, TL80073881, EN300-31538, MFCD01871312 (95%), X-2961, (R,S)-3-Amino-3-(3-methylphenyl)propanoic acid, 7R-0654, I01-8260, Z335451356, 3-(m-tolyl)-DL-beta-alanine3-(m-tolyl)-DL-beta-alanine, 3-(m-tolyl)-dl-beta-alanine, DL-beta-(m-Tolyl)alanine, 3-(m-Tolyl)-DL-?-alanine, 3-Amino-3-(m-tolyl)propanoic acid, 3-Amino-3-(m-tolyl)propanoicacid, (S)-3-Amino-3-(m-tolyl)propanoic acid, CID2764298, (3R)-3-amino-3-(3-methylphenyl)propanoic acid, (3S)-3-amino-3-(3-methylphenyl)propanoic acid, 748128-33-8, 701907-44-0,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1

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

Lot Number