Home Other Building Blocks 3-(1H-1,2,4-Triazol-1-yl)aniline

3-(1H-1,2,4-Triazol-1-yl)aniline

CAS No.:
176032-78-3
Catalog Number:
AG0021DF
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG0021DF
Chemical Name:
3-(1H-1,2,4-Triazol-1-yl)aniline
CAS Number:
176032-78-3
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
MDL Number:
MFCD08271899
IUPAC Name:
3-(1,2,4-triazol-1-yl)aniline
InChI:
InChI=1S/C8H8N4/c9-7-2-1-3-8(4-7)12-6-10-5-11-12/h1-6H,9H2
InChI Key:
QOHJDIAWBVPZFL-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)n1cncn1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties