Formula |
C14H26N4O2 |
IUPAC Name |
3-isobutyl-1-isopentyl-7,8-dihydropurine-4,5,8,9-tetraide-2,6-dione |
Molecular Mass |
282.382 g·mol−1 |
Heat of Formation |
-337.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.20 ± 1.08 D |
Volume |
348.43 Å 3 |
Surface Area |
296.78 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-0.58 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-(3-methylbutyl)-3-(2-methylpropyl)-7h-purine-2,6-dione
- 1-isoamyl-3-isobutyl-7h-purine-2,6-quinone
- 1-isoamyl-3-isobutylxanthine
- 1h-purine-2,6-dione, 3,7-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)-
- 3-isobutyl-1-isoamylxanthine
- 3-isobutyl-1-isopentyl-7h-purine-2,6-dione
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CAS Number(s) |
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InChIKey |
HRWQHFZQHIUCCC-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
N
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