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Name |
N-(2-(Diethylamino)ethyl)-2',6'-dimethyl-crotonanilide hydrochloride |
EINECS | N/A |
CAS No. | 77945-09-6 | Density | g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H28N2O•ClH | Boiling Point | 377.3°Cat760mmHg |
Molecular Weight | 324.94 | Flash Point | 136°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
IUPAC Name: 2-(N-[(E)-But-2-enoyl]-2,6-dimethylanilino)ethyl-diethylazanium chloride
Synonyms of N-(2-(Diethylamino)ethyl)-2',6'-dimethyl-crotonanilide hydrochloride (CAS NO.77945-09-6): 2',6'-Crotonxylilide, N-(2-(diethylamino)ethyl)-, hydrochloride ; Crotonanilide, N-(2-(diethylamino)ethyl)-2',6'-dimethyl-, hydrochloride
InChI: InChI=1/C18H28N2O.ClH/c1-6-10-17(21)20(14-13-19(7-2)8-3)18-15(4)11-9-12-16(18)5;/h6,9-12H,7-8,13-14H2,1-5H3;1H/b10-6+;
InChIKey: OXPACQQASCTLTD-AAGWESIMBK
Std. InChI: InChI=1S/C18H28N2O.ClH/c1-6-10-17(21)20(14-13-19(7-2)8-3)18-15(4)11-9-12-16(18)5;/h6,9-12H,7-8,13-14H2,1-5H3;1H/b10-6+;
Std. InChIKey: OXPACQQASCTLTD-AAGWESIMSA-N
CAS NO: 77945-09-6
Molecular Formula: C18H29ClN2O
Molecular Weight: 324.8887
Molecular Structure :
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 20.31 Å2
Flash Point: 136 °C
Enthalpy of Vaporization: 62.5 kJ/mol
Boiling Point: 377.3 °C at 760 mmHg
Vapour Pressure: 6.82E-06 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 69500ug/kg (69.5mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
rat | LD50 | intraperitoneal | 58mg/kg (58mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When N-(2-(Diethylamino)ethyl)-2',6'-dimethyl-crotonanilide hydrochloride (CAS NO.77945-09-6) is heated to decomposition ,it emits very toxic fumes of HCl and NOx.