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| Name |
Diisobutylaminobenzoyloxypropyl theophylline |
EINECS | N/A |
| CAS No. | 102367-57-7 | Density | 1.2g/cm3 |
| PSA | 102.22000 | LogP | 2.34240 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C25H35N5O4 | Boiling Point | 634.2°Cat760mmHg |
| Molecular Weight | 469.65 | Flash Point | 337.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
alpha-((Diisobutylamino)methyl)theophylline-8-ethanol benzoate (ester);7-(3-Diisobutylamino-2-benzoyloxypropyl)theophylline;Theophylline-8-ethanol, alpha-((diisobutylamino)methyl)-, benzoate (ester); |
Diisobutylaminobenzoyloxypropyl theophylline Chemical Properties
IUPAC Name: [1-[bis(2-Methylpropyl)amino]-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propan-2-yl] benzoate
Molecular Formula: C25H35N5O4
Molecular Weight: 469.65
Freely Rotating Bonds: 11
Polar Surface Area: 87.98 Å2
Index of Refraction: 1.591
Molar Refractivity: 131.831 cm3
Molar Volume: 390.077 cm3
Polarizability: 52.262 ×10-24 cm3
Surface Tension: 43.633 dyne/cm
Density: 1.204 g/cm3
Flash Point: 337.326 °C
Enthalpy of Vaporization: 93.732 kJ/mol
Boiling Point: 634.156 °C at 760 mmHg
The Cas Register Number of Diisobutylaminobenzoyloxypropyl theophylline is 102367-57-7.The chemical synonyms of Diisobutylaminobenzoyloxypropyl theophylline (CAS NO.102367-57-7) are 7-(3-Diisobutylamino-2-benzoyloxypropyl)theophylline ; Vestphyllin ; alpha-((Diisobutylamino)methyl)theophylline-8-ethanol benzoate and Theophylline-8-ethanol, alpha-((diisobutylamino)methyl)-, benzoate .The molecular structure of Diisobutylaminobenzoyloxypropyl theophylline (CAS NO.102367-57-7) is.bmp)
.
Diisobutylaminobenzoyloxypropyl theophylline Uses
Diisobutylaminobenzoyloxypropyl theophylline (CAS NO.102367-57-7) is used in organic synthesis.
Diisobutylaminobenzoyloxypropyl theophylline Toxicity Data With Reference
| 1. | orl-mus LD50:2567 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),306. | ||
| 2. | ipr-mus LD50:1835 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),306. | ||
| 3. | ivn-mus LD50:273 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),306. |
Diisobutylaminobenzoyloxypropyl theophylline Safety Profile
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
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