Product Name

  • Name

    2-[(2E)-but-2-enoyl(2,6-dimethylphenyl)amino]-N,N-diethylethanaminium chloride

  • EINECS
  • CAS No. 77945-09-6
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C18H28N2O•ClH
  • Boiling Point 377.3°Cat760mmHg
  • Molecular Weight 324.94
  • Flash Point 136°C
  • Transport Information
  • Appearance
  • 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
  • Molecular Structure Molecular Structure of 77945-09-6 (2-[(2E)-but-2-enoyl(2,6-dimethylphenyl)amino]-N,N-diethylethanaminium chloride)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

N-(2-(Diethylamino)ethyl)-2',6'-dimethyl-crotonanilide hydrochloride Chemical Properties

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

N-(2-(Diethylamino)ethyl)-2',6'-dimethyl-crotonanilide hydrochloride Toxicity Data With Reference

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.

N-(2-(Diethylamino)ethyl)-2',6'-dimethyl-crotonanilide hydrochloride Safety Profile

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.

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