1H-1,2,4-Triazol-3-amine, 5-(4-methylphenyl)-


Chemical Name: 1H-1,2,4-Triazol-3-amine, 5-(4-methylphenyl)-
CAS Number: 51884-11-8
Product Number: AG00DCTY(AGN-PC-0JVU1A)
Synonyms:
MDL No:
Molecular Formula: C9H10N4
Molecular Weight: 174.2025

Identification/Properties


Computed Properties
Molecular Weight:
174.207g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
174.091g/mol
Monoisotopic Mass:
174.091g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
165
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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