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77966-80-4

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Basic Information
CAS No.: 77966-80-4
Name: 2-[acetyl(2,6-dimethylphenyl)amino]-N,N-diethylethanaminium chloride
Molecular Structure:
Molecular Structure of 77966-80-4 (2-[acetyl(2,6-dimethylphenyl)amino]-N,N-diethylethanaminium chloride)
Formula: C16H26N2O•ClH
Molecular Weight: 298.90
Boiling Point: 380.9°C at 760 mmHg
Flash Point: 148.2°C
Safety: Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
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  • 2-(N-acetyl-2,6-dimethylanilino)ethyl-diethylazanium chloride

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  • N-(2-(DIETHYLAMINO)ETHYL)-2′,6′-ACETOXY-LIDIDE HYDROCHLORIDE

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Chemistry

IUPAC Name: 2-(N-Acetyl-2,6-dimethylanilino)ethyl-diethylazanium chloride
Synonyms of N-(2-(Diethylamino)ethyl)-2',6'-acetoxy-lidide hydrochloride (CAS NO.77966-80-4): 2',6'-Acetoxylidide, N-(2-(diethylamino)ethyl)-, hydrochloride ; N-(2-(Diethylamino)ethyl)-2',6'-acetoxylidide, hydrochloride  
InChI: InChI=1/C16H26N2O.ClH/c1-6-17(7-2)11-12-18(15(5)19)16-13(3)9-8-10-14(16)4;/h8-10H,6-7,11-12H2,1-5H3;1H
InChIKey: NEWUOCICXRVAMW-UHFFFAOYAX
Std. InChI: InChI=1S/C16H26N2O.ClH/c1-6-17(7-2)11-12-18(15(5)19)16-13(3)9-8-10-14(16)4;/h8-10H,6-7,11-12H2,1-5H3;1H
Std. InChIKey: NEWUOCICXRVAMW-UHFFFAOYSA-N
CAS NO: 77966-80-4
Molecular Formula: C16H27ClN2O
Molecular Weight: 298.8514
Molecular Structure :
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 20.31 Å2
Flash Point: 148.2 °C
Enthalpy of Vaporization: 62.92 kJ/mol
Boiling Point: 380.9 °C at 760 mmHg
Vapour Pressure: 5.26E-06 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 190mg/kg (190mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958.
rat LD50 intraperitoneal 125mg/kg (125mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. When N-(2-(Diethylamino)ethyl)-2',6'-acetoxy-lidide hydrochloride (CAS NO.77966-80-4) is heated to decomposition, it emits very toxic fumes of NOx and HCl.