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Home Other Building Blocks 4-(2-Amino-4-cyano-phenyl)-butyric acid ethyl ester

4-(2-Amino-4-cyano-phenyl)-butyric acid ethyl ester

CAS No.:
1308319-51-8
Catalog Number:
AG000UZZ
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
1 week
United States
$345
- +
1g
90%
1 week
United States
$806
- +
Product Description
Catalog Number:
AG000UZZ
Chemical Name:
4-(2-Amino-4-cyano-phenyl)-butyric acid ethyl ester
CAS Number:
1308319-51-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD18914316
IUPAC Name:
ethyl 4-(2-amino-4-cyanophenyl)butanoate
InChI:
InChI=1S/C13H16N2O2/c1-2-17-13(16)5-3-4-11-7-6-10(9-14)8-12(11)15/h6-8H,2-5,15H2,1H3
InChI Key:
IKMMJWGYXDEWBO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCc1ccc(cc1N)C#N
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties