Home Nitriles 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile

4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile

CAS No.:
158719-42-7
Catalog Number:
AG01F7SI
Molecular Formula:
C14H11N5
Molecular Weight:
249.2706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$469
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Product Description
Catalog Number:
AG01F7SI
Chemical Name:
4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile
CAS Number:
158719-42-7
Molecular Formula:
C14H11N5
Molecular Weight:
249.2706
MDL Number:
MFCD01249499
IUPAC Name:
4-(benzotriazol-1-ylmethylamino)benzonitrile
InChI:
InChI=1S/C14H11N5/c15-9-11-5-7-12(8-6-11)16-10-19-14-4-2-1-3-13(14)17-18-19/h1-8,16H,10H2
InChI Key:
VKRLPAIOEFEHJN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NCn1nnc2c1cccc2
Properties
Complexity:
341  
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:
2.7  
Properties