Formula |
C16H19ClN6O |
IUPAC Name |
2-[[(6z)-6-(3-chlorophenyl)imino-9-isopropyl-3,8-dihydropurine-1,2,4,5,7,8-hexaid-2-yl]amino]ethanol |
Molecular Mass |
346.815 g·mol−1 |
Heat of Formation |
82.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.96 ± 1.08 D |
Volume |
402.94 Å 3 |
Surface Area |
359.08 Å 2 |
HOMO Energy |
-8.48 ± 0.55 eV |
LUMO Energy |
2.33 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
- 2-[[6-[(3-chlorophenyl)amino]-9-isopropyl-2-purinyl]amino]ethanol
- 2-[[6-[(3-chlorophenyl)amino]-9-isopropyl-purin-2-yl]amino]ethanol
- 2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethanol
- compound 52
- compound 52; 2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
- hsci1_000070
- k00015
- k00222
- ng-52
- olp
|
InChIKey |
XZEFMZCNXDQXOZ-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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