Home Nitriles 2-(dimethylamino)butanenitrile

2-(dimethylamino)butanenitrile

CAS No.:
62737-41-1
Catalog Number:
AG01BJEL
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
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Product Description
Catalog Number:
AG01BJEL
Chemical Name:
2-(dimethylamino)butanenitrile
CAS Number:
62737-41-1
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD12064327
IUPAC Name:
2-(dimethylamino)butanenitrile
InChI:
InChI=1S/C6H12N2/c1-4-6(5-7)8(2)3/h6H,4H2,1-3H3
InChI Key:
CAGISDHALCVYJO-UHFFFAOYSA-N
SMILES:
CCC(N(C)C)C#N
Properties
Complexity:
98.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties