1H-1,2,4-Triazole-3-carboxylicacid, 5-amino-, hydrate (1:1)


Chemical Name: 1H-1,2,4-Triazole-3-carboxylicacid, 5-amino-, hydrate (1:1)
CAS Number: 304655-78-5
Product Number: AG00307M(AGN-PC-0O8R30)
Synonyms:
MDL No:
Molecular Formula: C3H6N4O3
Molecular Weight: 146.1047

Identification/Properties


Properties
MP:
182℃(lit.)
Form:
Solid
Computed Properties
Molecular Weight:
146.106g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
146.044g/mol
Monoisotopic Mass:
146.044g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
127
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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