Product Name

  • Name

    [butyl-(2,6-dimethylphenyl)carbamoyl]methyl-ethyl-azanium chloride

  • EINECS
  • CAS No. 77966-77-9
  • Density
  • Solubility
  • Melting Point
  • Formula C16H26 N2 O . Cl H
  • Boiling Point 387.6°C at 760 mmHg
  • Molecular Weight 298.90
  • Flash Point 188.2°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 77966-77-9 ([butyl-(2,6-dimethylphenyl)carbamoyl]methyl-ethyl-azanium chloride)
  • Hazard Symbols
  • Synonyms Acetamide,N-butyl-N-(2,6-dimethylphenyl)-2-(ethylamino)-, monohydrochloride (9CI)
  • PSA 32.34000
  • LogP 4.23890

N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride Chemical Properties

IUPAC Name: [2-(N-butyl-2,6-dimethylanilino)-2-oxoethyl]-ethylazanium chloride 
Empirical Formula: C16H27ClN2O
Molecular Weight: 298.8514g/mol 
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Exact Mass: 298.181191
MonoIsotopic Mass: 298.181191
Topological Polar Surface Area: 36.9
Heavy Atom Count: 20
Formal Charge: 0
Complexity: 258
Flash Point: 188.2 °C
Enthalpy of Vaporization: 63.67 kJ/mol
Boiling Point: 387.6 °C at 760 mmHg
Vapour Pressure: 3.25E-06 mmHg at 25°C
Canonical SMILES: CCCCN(C1=C(C=CC=C1C)C)C(=O)C[NH2+]CC.[Cl-]
InChI: InChI=1S/C16H26N2O.ClH/c1-5-7-11-18(15(19)12-17-6-2)16-13(3)9-8-10-14(16)4;/h8-10,17H,5-7,11-12H2,1-4H3;1H
InChIKey: VMPGCEHXSCPZRV-UHFFFAOYSA-N
Structure of N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride (CAS NO.77966-77-9):

N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride Toxicity Data With Reference

1.    

eye-rbt 2% MLD

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.
2.    

ipr-rat LD50:72 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.
3.    

scu-mus LD50:125 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.

N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride Safety Profile

Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.

N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride Specification

  N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride , its cas register number is 77966-77-9. It also can be called C 3164 ; 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride . When heated to decomposition it emits very toxic fumes of HCl and NOx. And N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride (CAS NO.77966-77-9) will caues an eye irritant.

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