Home Nitriles Butanenitrile,3-methyl-2-(phenylamino)-

Butanenitrile,3-methyl-2-(phenylamino)-

CAS No.:
117874-96-1
Catalog Number:
AG0081EE
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
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Product Description
Catalog Number:
AG0081EE
Chemical Name:
Butanenitrile,3-methyl-2-(phenylamino)-
CAS Number:
117874-96-1
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD00970862
IUPAC Name:
2-anilino-3-methylbutanenitrile
InChI:
InChI=1S/C11H14N2/c1-9(2)11(8-12)13-10-6-4-3-5-7-10/h3-7,9,11,13H,1-2H3
InChI Key:
TWTJGYGSDXJGLB-UHFFFAOYSA-N
SMILES:
CC(C(Nc1ccccc1)C#N)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties