Theophylline, 8-Benzyl-7-(2-((2-Hydroxyethyl)Amino)Ethyl)-
Properties
Property | Value |
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Formula | C18H23N5O3 |
IUPAC Name | 8-benzyl-7-[2-(2-hydroxyethylamino)ethyl]-1,3-dimethyl-purine-2,6-dione |
Molecular Mass | 357.407 g·mol−1 |
Heat of Formation | -301.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.71 ± 1.08 D |
Volume | 432.21 Å 3 |
Surface Area | 377.31 Å 2 |
HOMO Energy | -8.86 ± 0.55 eV |
LUMO Energy | 2.60 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | BZBIGFTZTTYEMF-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |