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5098-11-3 | 5-Amino-1H-imidazole-4-carbonitrile
CAS No: 5098-11-3 Catalog No: AG003ME5 MDL No:MFCD00129663
Product Description
Catalog Number:
AG003ME5
Chemical Name:
5-Amino-1H-imidazole-4-carbonitrile
CAS Number:
5098-11-3
Molecular Formula:
C4H4N4
Molecular Weight:
108.1014
MDL Number:
MFCD00129663
IUPAC Name:
4-amino-1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)
InChI Key:
XEPBRDBFOSKYCF-UHFFFAOYSA-N
SMILES:
Nc1c(nc[nH]1)C#N
EC Number:
225-816-6
NSC Number:
139091
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.044g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
108.104g/mol
Monoisotopic Mass:
108.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Chemoselective multicomponent one-pot assembly of purine precursors in water. | Journal of the American Chemical Society 20101124 |
| Exploratory studies to investigate a linked prebiotic origin of RNA and coded peptides. 3rd communication. Behaviour of 5-amino-1H-imidazole-4-carbonitrile derivatives. | Chemistry & biodiversity 20041101 |
| Prebiotic adenine revisited: eutectics and photochemistry. | Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 20040801 |
| 1,2,4-Triazolo[5,1-i]purine derivatives as highly potent and selective human adenosine A(3) receptor ligands. | Journal of medicinal chemistry 20020815 |
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