5-amino-3-methyl-imidazole-4-carbonitrile


Chemical Name: 5-amino-3-methyl-imidazole-4-carbonitrile
CAS Number: 40637-80-7
Product Number: AG003KNO(AGN-PC-0JQS09)
Synonyms:
MDL No: MFCD00522606
Molecular Formula: C5H6N4
Molecular Weight: 122.1279

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
122.131g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
122.059g/mol
Monoisotopic Mass:
122.059g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
146
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:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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