Product Name

  • Name

    2-[(4-chlorophenyl)carbamoylmethyl-methyl-ammonio]ethyl-diethyl-azaniu m dichloride

  • EINECS
  • CAS No. 77791-57-2
  • Density
  • Solubility
  • Melting Point
  • Formula C15H24 Cl N3 O . 2 Cl H
  • Boiling Point 427.7oC at 760 mmHg
  • Molecular Weight 370.79
  • Flash Point 212.5oC
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 77791-57-2 (2-[(4-chlorophenyl)carbamoylmethyl-methyl-ammonio]ethyl-diethyl-azaniu m dichloride)
  • Hazard Symbols
  • Synonyms Acetamide,N-(4-chlorophenyl)-2-[[2-(diethylamino)ethyl]methylamino]-, dihydrochloride(9CI)
  • PSA 35.58000
  • LogP 4.22910

Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride Chemical Properties


IUPAC: [2-(4-chloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride
Molecular Formula: C15H26Cl3N3O
Molecular Weight: 370.745440 g/mol 
Mol File: 77791-57-2.mol 
Canonical SMILES: CC[NH+](CC)CC[NH+](C)CC(=O)NC1=CC=C(C=C1)Cl.[Cl-].[Cl-]
InChI: InChI=1S/C15H24ClN3O.2ClH/c1-4-19(5-2)11-10-18(3)12-15(20)17-14-8-6-13(16)7-9-14;;/h6-9H,4-5,10-12H2,1-3H3,(H,17,20);2*1H
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 369.114146
MonoIsotopic Mass: 369.114146
Topological Polar Surface Area: 38
Heavy Atom Count: 22
Complexity: 276
Classification Code: Drug / Therapeutic Agent, Skin / Eye Irritant
Flash Point: 212.5 °C 
Enthalpy of Vaporization: 68.27 kJ/mol
Boiling Point: 427.7 °C at 760 mmHg 
Vapour Pressure of Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride (CAS NO.77791-57-2): 1.6E-07 mmHg at 25 °C

Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 435mg/kg (435mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959.
rat LD50 intraperitoneal 166mg/kg (166mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959.

Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride Safety Profile

Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When heated to decomposition Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride (CAS NO.77791-57-2) emits very toxic fumes of Cl− and NOx.

Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride Specification

 Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride (CAS NO.77791-57-2) can be called 4'-Chloro-2-(2-(diethylamino)ethyl) methylaminoacetanilide dihydrochloride .

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