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7391-40-4 | N,N-Dimethylcyanoacetamide
CAS No: 7391-40-4 Catalog No: AG0035BD MDL No:MFCD00051623
Product Description
Catalog Number:
AG0035BD
Chemical Name:
N,N-Dimethylcyanoacetamide
CAS Number:
7391-40-4
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD00051623
IUPAC Name:
2-cyano-N,N-dimethylacetamide
InChI:
InChI=1S/C5H8N2O/c1-7(2)5(8)3-4-6/h3H2,1-2H3
InChI Key:
MATJPVGBSAQWAC-UHFFFAOYSA-N
SMILES:
CN(C(=O)CC#N)C
NSC Number:
71378
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| 2-Cyano-N,N-dimethyl-acetamide. | Acta crystallographica. Section E, Structure reports online 20120201 |
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