Home Nitriles 2-methyl-3-[(3-methylphenyl)amino]propanenitrile

2-methyl-3-[(3-methylphenyl)amino]propanenitrile

CAS No.:
1099681-88-5
Catalog Number:
AG01C046
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
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Product Description
Catalog Number:
AG01C046
Chemical Name:
2-methyl-3-[(3-methylphenyl)amino]propanenitrile
CAS Number:
1099681-88-5
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD11651472
IUPAC Name:
2-methyl-3-(3-methylanilino)propanenitrile
InChI:
InChI=1S/C11H14N2/c1-9-4-3-5-11(6-9)13-8-10(2)7-12/h3-6,10,13H,8H2,1-2H3
InChI Key:
RUHILZGODXRRRX-UHFFFAOYSA-N
SMILES:
N#CC(CNc1cccc(c1)C)C
Properties
Complexity:
192  
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