Home Nitriles 3-methyl-2-(4-methylphenyl)butanenitrile

3-methyl-2-(4-methylphenyl)butanenitrile

CAS No.:
55291-51-5
Catalog Number:
AG01BD12
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
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Product Description
Catalog Number:
AG01BD12
Chemical Name:
3-methyl-2-(4-methylphenyl)butanenitrile
CAS Number:
55291-51-5
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD06496443
IUPAC Name:
3-methyl-2-(4-methylphenyl)butanenitrile
InChI:
InChI=1S/C12H15N/c1-9(2)12(8-13)11-6-4-10(3)5-7-11/h4-7,9,12H,1-3H3
InChI Key:
SRXSTBQSNGRISM-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)C)C(C)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties