Formula |
C18H23N5 |
IUPAC Name |
1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-ium-5-id-4-amine |
Molecular Mass |
309.409 g·mol−1 |
Heat of Formation |
219.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.31 ± 1.08 D |
Volume |
390.79 Å 3 |
Surface Area |
332.17 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
2.78 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]-4-pyrazolo[4,5-e]pyrimidinamine
- [1-tert-butyl-3-(2,5-dimethylbenzyl)pyrazolo[4,5-e]pyrimidin-4-yl]amine
- k10
|
InChIKey |
QUPXEJURIFFVSX-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
N
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