AG008XJM

103189-63-5 | 3-Amino-butyric acid methyl ester

AG008XJM

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CAS Number	103189-63-5
Catalog Number	AG008XJM(AGN-PC-0NVJE0)
Chemical Name	3-Amino-butyric acid methyl ester
IUPAC Name	methyl (3R)-3-aminobutanoate
InChI	InChI=1S/C5H11NO2/c1-4(6)3-5(7)8-2/h4H,3,6H2,1-2H3/t4-/m1/s1
InChI Key	SJQZRROQIBFBPS-SCSAIBSYSA-N
MDL Number	MFCD08058803
Molecular Formula	C5H11NO2
Molecular Weight	117.1463
SMILES	C[C@@H](N)CC(OC)=O
Synonyms	(R)-Methyl 3-aminobutanoate, 103189-63-5, methyl (3R)-3-aminobutanoate, Butanoic acid, 3-amino-, methyl ester, (3R)-, (R)-METHYL3-AMINOBUTANOATE, 3-Amino-butyric acid methyl ester, AC1PKYVU, methyl (3R)-3-azanylbutanoate, SCHEMBL4375047, CTK5B2244, KS-00000SCG, SJQZRROQIBFBPS-SCSAIBSYSA-N, ZINC7989018, MFCD08058803, (R)-3-Aminobutyric acid methyl ester, AKOS006285216, Butanoic acid,3-amino-, methyl ester, (3R)-3-aminobutyric acid methyl ester, (R)-3-Aminobutanoic acid methyl ester, LS30209, (3R)-3-aminobutanoic acid methyl ester, (R)-3-aminobutanoic acid, methyl ester, AJ-57267, AS-48849, SC-88822, Butanoic acid,3-amino-,methyl ester,(3R)-, ST24035570, Methyl (3S)-3-aminobutanoate, (R)-3-AMINO-BUTYRIC ACID METHYL ESTER, -3-AMINO-BUTYRICACIDMETHYLESTER, ACN-035917, CID9118388, 6078-06-4,

Complexity	82.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	117.079g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	117.148g/mol
Monoisotopic Mass	117.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

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