-
Name
1-propyl-3-methyl-7-(5-hydroxyhexyl)xanthine
- EINECS
- CAS No. 56395-66-5
- Density 1.26g/cm3
- Solubility
- Melting Point
- Formula C15H24 N4 O3
- Boiling Point 521°C at 760 mmHg
- Molecular Weight 308.43
- Flash Point 268.9°C
- Transport Information
- Appearance
- Safety Poison by ingestion, intraperitoneal, intravenous, intramuscular, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Propyl-3-methyl-7-(5-hydroxyhexyl)xanthine;HWA 153
- PSA 82.05000
- LogP 0.85780
7-(5-Hydroxyhexyl)-3-methyl-1-propylxanthine Chemical Properties
IUPAC Name: 7-(5-Hydroxyhexyl)-3-methyl-1-propylpurine-2,6-dione
Synonyms of 7-(5-Hydroxyhexyl)-3-methyl-1-propylxanthine (CAS NO.56395-66-5): 1-Propyl-3-methyl-7-(5-hydroxyhexyl)xanthine ; 1H-Purine-2,6-dione, 3,7-dihydro-7-(5-hydroxyhexyl)-3-methyl-1-propyl- ; 3,7-Dihydro-7-(5-hydroxyhexyl)-3-methyl-1-propyl-1H-purine-2,6-dione ; Xanthine, 7-(5-hydroxyhexyl)-3-methyl-1-propyl-
CAS NO: 56395-66-5
Molecular Formula: C15H24N4O3
Molecular Weight: 308.3761
Molecular Structure : .png)
H bond acceptors: 7
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 67.67 Å2
Index of Refraction: 1.602
Molar Refractivity: 83.49 cm3
Molar Volume: 243.4 cm3
Surface Tension: 47.9 dyne/cm
Density: 1.26 g/cm3
Flash Point: 268.9 °C
Enthalpy of Vaporization: 83.6 kJ/mol
Boiling Point: 521 °C at 760 mmHg
Vapour Pressure: 1.11E-11 mmHg at 25°C
InChI: InChI=1/C15H24N4O3/c1-4-8-19-14(21)12-13(17(3)15(19)22)16-10-18(12)9-6-5-7-11(2)20/h10-11,20H,4-9H2,1-3H3
InChIKey: IRZCBLPIFWYWRG-UHFFFAOYAG
Std. InChI: InChI=1S/C15H24N4O3/c1-4-8-19-14(21)12-13(17(3)15(19)22)16-10-18(12)9-6-5-7-11(2)20/h10-11,20H,4-9H2,1-3H3
Std. InChIKey: IRZCBLPIFWYWRG-UHFFFAOYSA-N
7-(5-Hydroxyhexyl)-3-methyl-1-propylxanthine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | intravenous | 203mg/kg (203mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| guinea pig | LD50 | oral | 695mg/kg (695mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| mouse | LD50 | intraperitoneal | 260mg/kg (260mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| mouse | LD50 | intravenous | 120mg/kg (120mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| mouse | LD50 | oral | 1345mg/kg (1345mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| mouse | LD50 | subcutaneous | 378mg/kg (378mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| rat | LD50 | intramuscular | 292mg/kg (292mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| rat | LD50 | intraperitoneal | 241mg/kg (241mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| rat | LD50 | intravenous | 94mg/kg (94mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
| rat | LD50 | oral | 1270mg/kg (1270mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1013, 1979. |
7-(5-Hydroxyhexyl)-3-methyl-1-propylxanthine Safety Profile
Poison by ingestion, intraperitoneal, intravenous, intramuscular, and subcutaneous routes. When 7-(5-Hydroxyhexyl)-3-methyl-1-propylxanthine (CAS NO.56395-66-5) is heated to decomposition ,it emits toxic fumes of NOx.
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