Home Other Building Blocks N-(1-cyano-2-methylpropyl)benzamide

N-(1-cyano-2-methylpropyl)benzamide

CAS No.:
91565-90-1
Catalog Number:
AG01AJAL
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
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Product Description
Catalog Number:
AG01AJAL
Chemical Name:
N-(1-cyano-2-methylpropyl)benzamide
CAS Number:
91565-90-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD19348910
IUPAC Name:
N-(1-cyano-2-methylpropyl)benzamide
InChI:
InChI=1S/C12H14N2O/c1-9(2)11(8-13)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3,(H,14,15)
InChI Key:
BCPSDCCYHIOIDU-UHFFFAOYSA-N
SMILES:
CC(C(NC(=O)c1ccccc1)C#N)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties