Home Other Building Blocks Benzenamine, 4-(1H-benzotriazol-1-ylmethyl)-

Benzenamine, 4-(1H-benzotriazol-1-ylmethyl)-

CAS No.:
129075-89-4
Catalog Number:
AG000YUB
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%
1 week
United States
$191
- +
Product Description
Catalog Number:
AG000YUB
Chemical Name:
Benzenamine, 4-(1H-benzotriazol-1-ylmethyl)-
CAS Number:
129075-89-4
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
MDL Number:
MFCD00960990
IUPAC Name:
4-(benzotriazol-1-ylmethyl)aniline
InChI:
InChI=1S/C13H12N4/c14-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9,14H2
InChI Key:
GJSIHNFDWYIROW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cn1nnc2c1cccc2
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties