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| CAS No.: | 77985-25-2 |
|---|---|
| Name: | 2-{[(2,6-dimethylphenoxy)carbonyl]amino}-N,N-diethylethanaminium chloride |
| Molecular Structure: | |
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| Formula: | C15H24N2O2•ClH |
| Molecular Weight: | 300.87 |
| Density: | g/cm3 |
| Boiling Point: | 357.1°Cat760mmHg |
| Flash Point: | 169.8°C |
| Safety: | Poison by intraperitoneal and subcutaneous routes. See also CARBAMATES. When heated to decomposition it emits very toxic fumes of NOx and HCl. |
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Chemistry
IUPAC Name: 2-[(2,6-Dimethylphenoxy)carbonylamino]ethyl-diethylazanium chloride
Synonyms of N-(2-(Diethylamino)ethyl)carbamic acid, 2,6-xylyl ester hydrochloride (CAS NO.77985-25-2): Carbamic acid, N-(2-(diethylamino)ethyl)-, 2,6-xylyl ester, hydrochloride
InChI: InChI=1/C15H24N2O2.ClH/c1-5-17(6-2)11-10-16-15(18)19-14-12(3)8-7-9-13(14)4;/h7-9H,5-6,10-11H2,1-4H3,(H,16,18);1H
InChIKey: QOJUGSMAWFOHIJ-UHFFFAOYAD
Std. InChI: InChI=1S/C15H24N2O2.ClH/c1-5-17(6-2)11-10-16-15(18)19-14-12(3)8-7-9-13(14)4;/h7-9H,5-6,10-11H2,1-4H3,(H,16,18);1H
Std. InChIKey: QOJUGSMAWFOHIJ-UHFFFAOYSA-N
CAS NO: 77985-25-2
Molecular Formula: C15H25ClN2O2
Molecular Weight: 300.8242
Molecular Structure : .png)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 29.54 Å2
Flash Point: 169.8 °C
Enthalpy of Vaporization: 60.24 kJ/mol
Boiling Point: 357.1 °C at 760 mmHg
Vapour Pressure: 2.8E-05 mmHg at 25°C
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 136mg/kg (136mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
| rat | LD50 | intraperitoneal | 40mg/kg (40mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
Safety Profile
Poison by intraperitoneal and subcutaneous routes. See also CARBAMATES. When N-(2-(Diethylamino)ethyl)carbamic acid, 2,6-xylyl ester hydrochloride (CAS NO.77985-25-2) is heated to decomposition, it emits very toxic fumes of NOx and HCl.