Home Nitriles 2-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile

2-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile

CAS No.:
298217-94-4
Catalog Number:
AG01EUPS
Molecular Formula:
C14H11N5
Molecular Weight:
249.2706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$350
- +
Product Description
Catalog Number:
AG01EUPS
Chemical Name:
2-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile
CAS Number:
298217-94-4
Molecular Formula:
C14H11N5
Molecular Weight:
249.2706
MDL Number:
MFCD30186467
IUPAC Name:
2-(benzotriazol-1-ylmethylamino)benzonitrile
InChI:
InChI=1S/C14H11N5/c15-9-11-5-1-2-6-12(11)16-10-19-14-8-4-3-7-13(14)17-18-19/h1-8,16H,10H2
InChI Key:
XKKURCHWFDDYSL-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NCn1nnc2c1cccc2
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.101g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.277g/mol
Monoisotopic Mass:
249.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties