1,3,5-Triazin-2(1H)-one, 4-amino-


Chemical Name: 1,3,5-Triazin-2(1H)-one, 4-amino-
CAS Number: 931-86-2
Product Number: AG00IHHC(AGN-PC-0ONKCW)
Synonyms:
MDL No:
Molecular Formula: C3H4N4O
Molecular Weight: 112.0901

Identification/Properties


Properties
MP:
>300 °C(lit.);
BP:
503.1 °C at 760 mmHg
Storage:
Light sensitive;Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.8010 (estimate)
Computed Properties
Molecular Weight:
112.092g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
112.039g/mol
Monoisotopic Mass:
112.039g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
170
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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