Home Nitriles 4-{[(2-methylpropyl)amino]methyl}benzonitrile

4-{[(2-methylpropyl)amino]methyl}benzonitrile

CAS No.:
928649-00-7
Catalog Number:
AG019LT4
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019LT4
Chemical Name:
4-{[(2-methylpropyl)amino]methyl}benzonitrile
CAS Number:
928649-00-7
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD11139715
IUPAC Name:
4-[(2-methylpropylamino)methyl]benzonitrile
InChI:
InChI=1S/C12H16N2/c1-10(2)8-14-9-12-5-3-11(7-13)4-6-12/h3-6,10,14H,8-9H2,1-2H3
InChI Key:
JOCMXJYQSOOYOJ-UHFFFAOYSA-N
SMILES:
CC(CNCc1ccc(cc1)C#N)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties