Formula |
C21H27N7O |
IUPAC Name |
n6-cyclohexyl-n2-(4-morpholinophenyl)-7h-purine-1,3,9-triium-5-ide-2,6-diamine |
Molecular Mass |
393.485 g·mol−1 |
Heat of Formation |
207.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.14 ± 1.08 D |
Volume |
481.46 Å 3 |
Surface Area |
408.89 Å 2 |
HOMO Energy |
-7.98 ± 0.55 eV |
LUMO Energy |
-0.35 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1h-purine-2,6-diamine, n6-cyclohexyl-n2-(4-(4-morpholinyl)phenyl)-
- 2-(4-morpholinoanilino)-6-cyclohexylaminopurine
- cyclohexyl-[2-[(4-morpholinophenyl)amino]-7h-purin-6-yl]amine
- hsci1_000387
- n'-cyclohexyl-n-(4-morpholin-4-ylphenyl)-7h-purine-2,6-diamine
- n'-cyclohexyl-n-(4-morpholinophenyl)-7h-purine-2,6-diamine
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CAS Number(s) |
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InChIKey |
ZFLJHSQHILSNCM-UHFFFAOYSA-N |
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Links |
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Elements |
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