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Cas Database |
| Name |
N,N-Diethyl-N'-((8-α)-6-propylergolin-8-yl)urea |
EINECS | N/A |
| CAS No. | 77650-95-4 | Density | 1.17g/cm3 |
| PSA | 54.86000 | LogP | 3.85420 |
| Solubility | N/A | Melting Point |
133°C |
| Formula | C22H32 N4 O | Boiling Point | 602.9°C at 760 mmHg |
| Molecular Weight | 368.522 | Flash Point | 318.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ergoline,urea deriv.; Indolo[4,3-fg]quinoline, urea deriv.; Proterguride |
Article Data | 2 |
N,N-Diethyl-N'-((8-α)-6-propylergolin-8-yl)urea Chemical Properties
Systematic Name: 1,1-Diethyl-3-[(8alpha)-6-propylergolin-8-yl]urea
Synonyms of N,N-Diethyl-N'-((8-α)-6-propylergolin-8-yl)urea (CAS NO.77650-95-4): 1-((5R,8S,10R)-6-Propyl-8-ergolinyl)-3,3-diethylurea ; N,N-Diethyl-N'-((8-alpha)-6-propylergolin-8-yl)urea ; Protergurida ; Proterguridum ; 1,1-Diethyl-3-(6-propylergolin-8alpha-yl)urea ; Urea, N,N-diethyl-N'-((8-alpha)-6-propylergolin-8-yl)- ; Urea, N,N-diethyl-N'-((8alpha)-6-propylergolin-8-yl)-
InChI: InChI=1/C22H32N4O/c1-4-10-26-14-16(24-22(27)25(5-2)6-3)12-18-17-8-7-9-19-21(17)15(13-23-19)11-20(18)26/h7-9,13,16,18,20,23H,4-6,10-12,14H2,1-3H3,(H,24,27)/t16-,18+,20+/m0/s1
InChIKey: FCRJELOYDVBTGW-ILZDJOREBV
Std. InChI: InChI=1S/C22H32N4O/c1-4-10-26-14-16(24-22(27)25(5-2)6-3)12-18-17-8-7-9-19-21(17)15(13-23-19)11-20(18)26/h7-9,13,16,18,20,23H,4-6,10-12,14H2,1-3H3,(H,24,27)/t16-,18+,20+/m0/s1
Std. InChIKey: FCRJELOYDVBTGW-ILZDJORESA-N
CAS NO: 77650-95-4
Molecular Formula: C22H32N4O
Molecular Weight: 368.5157
Molecular Structure : .png)
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 31.72Å2
Index of Refraction: 1.622
Molar Refractivity: 110.43 cm3
Molar Volume: 313.3 cm3
Surface Tension: 54.1 dyne/cm
Density: 1.17 g/cm3
Flash Point: 318.4 °C
Enthalpy of Vaporization: 89.69 kJ/mol
Boiling Point: 602.9 °C at 760 mmHg
Vapour Pressure: 1.73E-14 mmHg at 25°C
N,N-Diethyl-N'-((8-α)-6-propylergolin-8-yl)urea Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 37mg/kg (37mg/kg) | Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 2983, 1987. |
N,N-Diethyl-N'-((8-α)-6-propylergolin-8-yl)urea Safety Profile
Poison by intravenous route. Experimental reproductive effects. When N,N-Diethyl-N'-((8-α)-6-propylergolin-8-yl)urea (CAS NO.77650-95-4) is heated to decomposition, it emits toxic fumes of NOx.
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