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10039-64-2

10039-64-2 | Benzenepropanoic acid, 3-amino-, ethyl ester

CAS No: 10039-64-2 Catalog No: AG0001VL MDL No:MFCD20690593

Product Description

Catalog Number:
AG0001VL
Chemical Name:
Benzenepropanoic acid, 3-amino-, ethyl ester
CAS Number:
10039-64-2
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD20690593
IUPAC Name:
ethyl 3-(3-aminophenyl)propanoate
InChI:
InChI=1S/C11H15NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7,12H2,1H3
InChI Key:
CUNKFKQHEJGIIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cccc(c1)N
EC Number:
233-119-3

Properties

Complexity:
182  
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:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
Short synthesis of ethyl 3-(3-aminophenyl)propanoate. Archiv der Pharmazie 20111201

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