Home Nitriles 2,2-dimethylbutanenitrile

2,2-dimethylbutanenitrile

CAS No.:
20654-46-0
Catalog Number:
AG01BDPK
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
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Product Description
Catalog Number:
AG01BDPK
Chemical Name:
2,2-dimethylbutanenitrile
CAS Number:
20654-46-0
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
MDL Number:
MFCD00055629
IUPAC Name:
2,2-dimethylbutanenitrile
InChI:
InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3
InChI Key:
OSEGNECCBMDWRB-UHFFFAOYSA-N
SMILES:
CCC(C#N)(C)C
Properties
Complexity:
94  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.161g/mol
Monoisotopic Mass:
97.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties