Benzenamine, 2-(1H-1,2,4-triazol-1-yl)-


Chemical Name: Benzenamine, 2-(1H-1,2,4-triazol-1-yl)-
CAS Number: 39876-84-1
Product Number: AG00CN2T(AGN-PC-0N9X4M)
Synonyms:
MDL No: MFCD08699291
Molecular Formula: C8H8N4
Molecular Weight: 160.1759

Identification/Properties


Computed Properties
Molecular Weight:
160.18g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
160.075g/mol
Monoisotopic Mass:
160.075g/mol
Topological Polar Surface Area:
56.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
150
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3259
Hazard Statements:
H302-H312-H315-H318-H332-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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