Product Name

  • Name

    2-{[(2-chloro-6-methylphenoxy)carbonyl]amino}-N,N-diethylethanaminium chloride

  • EINECS
  • CAS No. 77985-23-0
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C14H21ClN2O2•ClH
  • Boiling Point 370.2°Cat760mmHg
  • Molecular Weight 321.28
  • Flash Point 177.7°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also CARBAMATES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 77985-23-0 (2-{[(2-chloro-6-methylphenoxy)carbonyl]amino}-N,N-diethylethanaminium chloride)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester Chemical Properties

Molecule structure of N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester hydrochloride (CAS NO.77985-23-0) :

IUPAC Name: 2-[(2-chloro-6-methylphenoxy)carbonylamino]ethyl-diethylazanium chloride 
Molecular Weight: 321.24268 g/mol
Molecular Formula: C14H22Cl2N2O2 
Boiling Point: 370.2 °C at 760 mmHg
Flash Point: 177.7 °C
Enthalpy of Vaporization: 61.71 kJ/mol
Vapour Pressure: 1.12E-05 mmHg at 25 °C 
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 320.105833
MonoIsotopic Mass: 320.105833
Topological Polar Surface Area: 42.8
Heavy Atom Count: 20
Complexity: 272
Canonical SMILES: CC[NH+](CC)CCNC(=O)OC1=C(C=CC=C1Cl)C.[Cl-]
InChI: InChI=1S/C14H21ClN2O2.ClH/c1-4-17(5-2)10-9-16-14(18)19-13-11(3)7-6-8-12(13)15;/h6-8H,4-5,9-10H2,1-3H3,(H,16,18);1H
InChIKey of N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester hydrochloride (CAS NO.77985-23-0) : QPHHKBFGUODEEJ-UHFFFAOYSA-N

N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester Toxicity Data With Reference

1.    

eye-rbt 2% MLD

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),708.
2.    

ipr-rat LD50:52 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),708.
3.    

scu-mus LD50:84 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),708.

N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester Safety Profile

Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also CARBAMATES.

N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester Specification

 N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester hydrochloride (CAS NO.77985-23-0) is also called C 5307 ; Carbamic acid, N-(2-(diethylamino)ethyl)-, 6-chloro-o-tolyl ester, hydrochloride .

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