AG003IS1

149692-49-9 | N-Benzyl-N-methyl-beta-alanine

AG003IS1

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CAS Number	149692-49-9
Catalog Number	AG003IS1(AGN-PC-003XTK)
Chemical Name	N-Benzyl-N-methyl-beta-alanine
IUPAC Name	3-[benzyl(methyl)amino]propanoic acid
InChI	InChI=1S/C11H15NO2/c1-12(8-7-11(13)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChI Key	PYZWKFUBWBLIAN-UHFFFAOYSA-N
MDL Number	MFCD09717730
Molecular Formula	C11H15NO2
Molecular Weight	193.2423
SMILES	CN(CC1=CC=CC=C1)CCC(O)=O
Synonyms	3-[benzyl(methyl)amino]propanoic acid, 149692-49-9, N-benzyl-N-methyl-beta-alanine, SCHEMBL40675, 4620AD, BBL008872, MFCD09717730, STK824703, ZINC11798624, AKOS005635694, MCULE-9364852632, SS-4451, TRA0003370, SY024957, AB0057662, FT-0745517, Z-3558, MFCD09717730 (97+%), AO-365/43467504, C11H15NO2, beta-Alanine, N-methyl-N-(phenylmethyl)-,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.11g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.246g/mol
Monoisotopic Mass	193.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
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

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