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Name
2-{(2,6-dimethylphenyl)[(2-ethoxyquinolin-4-yl)carbonyl]amino}-N,N-diethylethanaminium chloride
- EINECS
- CAS No. 77945-03-0
- Density
- Solubility
- Melting Point
- Formula C26H33N3O2•ClH
- Boiling Point 563.2°C at 760 mmHg
- Molecular Weight 456.08
- Flash Point 294.4°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
N-(2-(Diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)cinchoninamide hydrochloride Chemical Properties
IUPAC Name: 2-(N-(2-Ethoxyquinoline-4-carbonyl)-2,6-dimethylanilino)ethyl-diethylazanium chloride
Synonyms of N-(2-(Diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)cinchoninamide hydrochloride (CAS NO.77945-03-0 ): 4-Quinolinecarboxamide, N-(2-(diethylamino)ethyl)-N-(2,6-dimethylphenyl)-2-epoxy-, HCl ; N-(2-(Diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)-4-quinolinecarboxamide, hydrochloride ; Cinchoninamide, N-(2-(diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)-, hydrochloride
InChI: InChI=1/C26H33N3O2.ClH/c1-6-28(7-2)16-17-29(25-19(4)12-11-13-20(25)5)26(30)22-18-24(31-8-3)27-23-15-10-9-14-21(22)23;/h9-15,18H,6-8,16-17H2,1-5H3;1H
InChIKey: YFHKYVQDEGGMID-UHFFFAOYAU
Std. InChI: InChI=1S/C26H33N3O2.ClH/c1-6-28(7-2)16-17-29(25-19(4)12-11-13-20(25)5)26(30)22-18-24(31-8-3)27-23-15-10-9-14-21(22)23;/h9-15,18H,6-8,16-17H2,1-5H3;1H
Std. InChIKey: YFHKYVQDEGGMID-UHFFFAOYSA-N
CAS NO: 77945-03-0
Molecular Formula: C26H34ClN3O2
Molecular Weight: 456.0201
Molecular Structure : .png)
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 9
Polar Surface Area: 42.43 Å2
Flash Point: 294.4 °C
Enthalpy of Vaporization: 84.65 kJ/mol
Boiling Point: 563.2 °C at 760 mmHg
Vapour Pressure: 1.04E-12 mmHg at 25°C
N-(2-(Diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)cinchoninamide hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 250mg/kg (250mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
| rat | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
N-(2-(Diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)cinchoninamide hydrochloride Safety Profile
Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When N-(2-(Diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)cinchoninamide hydrochloride (CAS NO.77945-03-0 ) is heated to decomposition ,it emits very toxic fumes of NOx and HCl.
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