Formula |
C8H10N4O2 |
IUPAC Name |
1,3,7-trimethylpurin-9-ium-5-ide-2,6-dione |
Molecular Mass |
196.183 g·mol−1 |
Heat of Formation |
-193.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.68 ± 1.08 D |
Volume |
218.67 Å 3 |
Surface Area |
208.66 Å 2 |
HOMO Energy |
-8.98 ± 0.55 eV |
LUMO Energy |
2.56 ± eV |
Point Group Symmetry |
Cs
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Synonyms
|
- (14-c)caffeine
- 1-methylcaffeine
- 1h-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(methyl-14c)-
- caffeine-1-methyl-14c
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CAS Number(s) |
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InChIKey |
RYYVLZVUVIJVGH-YZRHJBSPSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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