Home Nitriles 2-(Isobutylamino)benzonitrile

2-(Isobutylamino)benzonitrile

CAS No.:
204078-86-4
Catalog Number:
AG00717U
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
25g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00717U
Chemical Name:
2-(Isobutylamino)benzonitrile
CAS Number:
204078-86-4
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD11144635
IUPAC Name:
2-(2-methylpropylamino)benzonitrile
InChI:
InChI=1S/C11H14N2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3
InChI Key:
VVPNLPFXYUZQSI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NCC(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:
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties