| Formula |
C14H15ClN6O |
| IUPAC Name |
6-chloro-9-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-3-id-2-yl)methyl]purine-1,3,7-triium-2-amine |
| Molecular Mass |
318.762 g·mol−1 |
| Heat of Formation |
163.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.77 ± 1.08 D |
| Volume |
355.51 Å 3 |
| Surface Area |
315.87 Å 2 |
| HOMO Energy |
-8.96 ± 0.55 eV |
| LUMO Energy |
2.27 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-2-purinamine
- 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]purin-2-amine
- 6-chloro-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]purin-2-amine
- [6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]purin-2-yl]amine
|
| InChIKey |
QULDDKSCVCJTPV-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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