AG005YLA

68208-16-2 | 3-Amino-3-(2-methylphenyl)propanoic acid

AG005YLA

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CAS Number	68208-16-2
Catalog Number	AG005YLA(AGN-PC-0KKOPN)
Chemical Name	3-Amino-3-(2-methylphenyl)propanoic acid
IUPAC Name	3-amino-3-(2-methylphenyl)propanoic acid
InChI	InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChI Key	GORGZFRGYDIRJA-UHFFFAOYSA-N
MDL Number	MFCD01871311
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(O)CC(N)C1=CC=CC=C1C
Synonyms	3-amino-3-(2-methylphenyl)propanoic acid, 68208-16-2, 3-Amino-3-(o-tolyl)propanoic acid, 3-Amino-3-(2-methyl-phenyl)-propionic acid, 3-amino-3-(2-methylphenyl)propionic acid, Bionet2_001099, (S)-3-AMINO-3-O-TOLYLPROPANOIC ACID, ACMC-209ork, AC1MC9L7, aminomethylphenylpropanoicacid, SCHEMBL2320843, CTK5C7525, KS-00001ZTL, alpha-(o-Tolyl)-DL-beta-alanine, 3-Amino-3-o-tolyl-propionic acid, HMS1367B21, ALBB-007548, 8055AE, MFCD01871311, STK501149, AKOS000194766, AKOS016050863, AB10460, MCULE-8413444787, RP10839, Benzenepropanoic acid,b-amino-2-methyl-, 3-AMINO-3-O-TOLYLPROPANOIC ACID, beta-Amino-2-methylbenzenepropanoic Acid, AK-45136, AK111346, Benzenepropanoic acid, b-amino-2-methyl-, SC-59199, SY026387, TR-022822, 4CH-014280, 4CH-024490, AM20060427, BB 0249711, FT-0679342, R5014, TL80073874, MFCD01871311 (95%), 7R-0653, 3-AMINO-3-(2-METHYL-PHENYL)PROPIONIC ACID, I04-5519, J-502444, J-511582, Z1324054904, (R)-3-Amino-3-(o-tolyl)propanoic acid, C10H13NO2, 3-AMINO-3- PROPANOICACID, (S)-3-Amino-3-(2-methylphenyl)propionic acid, CID2764297, (S)-3-Amino-3-(2-methylphenyl)propanoic acid, 736131-48-9, 752198-38-2,

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	-1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number