Home Other Building Blocks β-Alanine, phenylmethyl ester

β-Alanine, phenylmethyl ester

CAS No.:
14529-00-1
Catalog Number:
AG001KR8
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG001KR8
Chemical Name:
β-Alanine, phenylmethyl ester
CAS Number:
14529-00-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00625377
IUPAC Name:
benzyl 3-aminopropanoate
InChI:
InChI=1S/C10H13NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChI Key:
CANCPUBPPUIWPX-UHFFFAOYSA-N
SMILES:
NCCC(=O)OCc1ccccc1
Properties
Complexity:
153  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties