Formula |
C18H24N6O |
IUPAC Name |
3-[[6-(benzylamino)-9-isopropyl-purin-9-ium-2-yl]amino]propan-1-ol |
Molecular Mass |
340.423 g·mol−1 |
Heat of Formation |
94.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.77 ± 1.08 D |
Volume |
429.75 Å 3 |
Surface Area |
381.49 Å 2 |
HOMO Energy |
-8.15 ± 0.55 eV |
LUMO Energy |
0.05 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol
- 3-[[6-(phenylmethylamino)-9-propan-2-yl-purin-2-yl]amino]propan-1-ol
- 3-[[6-(phenylmethylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
- 3-[[9-isopropyl-6-(phenylmethylamino)-2-purinyl]amino]propan-1-ol
- 3-[[9-isopropyl-6-(phenylmethylamino)purin-2-yl]amino]propan-1-ol
- [6-benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine
- bohemine
- hsci1_000064
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InChIKey |
OPQGFIAVPSXOBO-UHFFFAOYSA-N |
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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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