Home Nitriles 2-[(Dimethylamino)methyl]benzonitrile

2-[(Dimethylamino)methyl]benzonitrile

CAS No.:
53369-76-9
Catalog Number:
AG00DIHQ
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
10g
97%
In Stock USA
United States
$600
- +
25g
97%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG00DIHQ
Chemical Name:
2-[(Dimethylamino)methyl]benzonitrile
CAS Number:
53369-76-9
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD07324818
IUPAC Name:
2-[(dimethylamino)methyl]benzonitrile
InChI:
InChI=1S/C10H12N2/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,8H2,1-2H3
InChI Key:
LCBWEMRQKBKAEN-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN(C)C
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties