Product Name

  • Name

    2-[(4-butoxyphenyl)amino]-N,N-diethyl-2-oxoethanaminium chloride

  • EINECS
  • CAS No. 41296-95-1
  • Density
  • Solubility
  • Melting Point
  • Formula C16H26N2O2•ClH
  • Boiling Point 430.9°C at 760 mmHg
  • Molecular Weight 314.90
  • Flash Point 214.4°C
  • 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 NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 41296-95-1 (2-[(4-butoxyphenyl)amino]-N,N-diethyl-2-oxoethanaminium chloride)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Acetanilide, 4'-butoxy-2-(diethylamino)-, hydrochloride Chemical Properties


IUPAC Name: [2-(4-butoxyanilino)-2-oxoethyl]-diethylazanium chloride
Molecular Formula:  C16H27ClN2O2
Molecular Weight: 314.850780 g/mol
Mol File: 77791-53-8.mol
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 9
Tautomer Count: 2
Exact Mass: 314.176106
MonoIsotopic Mass: 314.176106
Topological Polar Surface Area: 42.8
Heavy Atom Count: 21
Complexity: 259
Classification Code: Drug / Therapeutic Agent,Skin / Eye Irritant
Smiles: c1(NC(C[NH+](CC)CC)=O)ccc(OCCCC)cc1.[ClH-]
Flash Point: 214.4 °C
Enthalpy of Vaporization: 68.64 kJ/mol
Boiling Point: 430.9 °C at 760 mmHg
Vapour Pressure of Acetanilide, 4'-butoxy-2-(diethylamino)-, hydrochloride (CAS NO.41296-95-1): 1.25E-07 mmHg at 25 °C

Acetanilide, 4'-butoxy-2-(diethylamino)-, hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Source
mouse LD50 subcutaneous 695mg/kg (695mg/kg) Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958.
rat LD50 intraperitoneal 220mg/kg (220mg/kg) Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958.

Acetanilide, 4'-butoxy-2-(diethylamino)-, hydrochloride Safety Profile

Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When heated to decomposition Acetanilide, 4'-butoxy-2-(diethylamino)-, hydrochloride (CAS NO.41296-95-1) emits very toxic fumes of NOx and HCl.

Acetanilide, 4'-butoxy-2-(diethylamino)-, hydrochloride Specification

 Acetanilide, 4'-butoxy-2-(diethylamino)-, hydrochloride (CAS NO.41296-95-1),its Synonyms are 4'-Butoxy-2-(diethylamino)acetanilide, hydrochloride ; C 3121 . 

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