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6436-90-4

6436-90-4 | N-Benzylglycine ethyl ester

CAS No: 6436-90-4 Catalog No: AG0038KH MDL No:MFCD00009174

Product Description

Catalog Number:
AG0038KH
Chemical Name:
N-Benzylglycine ethyl ester
CAS Number:
6436-90-4
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD00009174
IUPAC Name:
ethyl 2-(benzylamino)acetate
InChI:
InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChI Key:
ULOLIZHBYWAICY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNCc1ccccc1
EC Number:
229-218-6

Properties

Complexity:
165  
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:
6  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Mechanism of alpha-amino acids decomposition in the gas phase. experimental and theoretical study of the elimination kinetics of N-benzyl glycine ethyl ester. The journal of physical chemistry. A 20100225

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