1H-Imidazole-4,5-dicarbonitrile, 2-amino-


Chemical Name: 1H-Imidazole-4,5-dicarbonitrile, 2-amino-
CAS Number: 40953-34-2
Product Number: AG003KHR(AGN-PC-0JPRDS)
Synonyms:
MDL No: MFCD00129982
Molecular Formula: C5H3N5
Molecular Weight: 133.1108

Identification/Properties


Properties
MP:
270 °C
BP:
587.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
133.114g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
133.039g/mol
Monoisotopic Mass:
133.039g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
217
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


NMR Spectrum


Other Analytical Data


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