Home Other Building Blocks 2-cyano-N-(1-phenylpropyl)acetamide

2-cyano-N-(1-phenylpropyl)acetamide

CAS No.:
170449-35-1
Catalog Number:
AG01B1NO
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
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Product Description
Catalog Number:
AG01B1NO
Chemical Name:
2-cyano-N-(1-phenylpropyl)acetamide
CAS Number:
170449-35-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD07164350
IUPAC Name:
2-cyano-N-(1-phenylpropyl)acetamide
InChI:
InChI=1S/C12H14N2O/c1-2-11(14-12(15)8-9-13)10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3,(H,14,15)
InChI Key:
VJULKDZVDNRCIQ-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)NC(=O)CC#N
Properties
Complexity:
248  
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:
4  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties