Formula |
C8H12N4O3 |
IUPAC Name |
3-methyl-5-[methyl(methylcarbamoyl)amino]imidazole-4-carboxylic acid |
Molecular Mass |
212.206 g·mol−1 |
Heat of Formation |
-417.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.33 ± 1.08 D |
Volume |
241.71 Å 3 |
Surface Area |
229.58 Å 2 |
HOMO Energy |
-9.15 ± 0.55 eV |
LUMO Energy |
2.36 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1h-imidazole-5-carboxylic acid, 1-methyl-4-(methyl((methylamino)carbonyl)amino)-
- 3-methyl-5-(methyl-(methylcarbamoyl)amino)-4-imidazolecarboxylic acid
- 3-methyl-5-(methyl-(methylcarbamoyl)amino)imidazole-4-carboxylic acid
- caffeidine acid
|
CAS Number(s) |
|
InChIKey |
KCDXKHFRZVPYRR-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|