1H-1,2,4-Triazole-3,5-diamine


Chemical Name: 1H-1,2,4-Triazole-3,5-diamine
CAS Number: 1455-77-2
Product Number: AG001D4C(AGN-PC-0JKC2X)
Synonyms:
MDL No:
Molecular Formula: C2H5N5
Molecular Weight: 99.0946

Identification/Properties


Properties
MP:
202-205 °C
BP:
473.7 °C at 760 mmHg
Storage:
Light sensitive;Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.7330 (estimate)
Solubility:
H2O: clear to hazy
Computed Properties
Molecular Weight:
99.097g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
99.054g/mol
Monoisotopic Mass:
99.054g/mol
Topological Polar Surface Area:
93.6A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
63.1
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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