Product Name

  • Name

    2-[1-(3,5-dimethylphenoxy)propan-2-yl-ethyl-carbamoyl]oxyethyl-diethyl -azanium chloride

  • EINECS
  • CAS No. 101491-85-4
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C20H34 N2 O3 . Cl H
  • Boiling Point 454.9°Cat760mmHg
  • Molecular Weight 387.02
  • Flash Point 228.9°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous route. A severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES and ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 101491-85-4 (2-[1-(3,5-dimethylphenoxy)propan-2-yl-ethyl-carbamoyl]oxyethyl-diethyl -azanium chloride)
  • Hazard Symbols
  • Synonyms 2-[1-(3,5-dimethylphenoxy)propan-2-yl-ethyl-carbamoyl]oxyethyl-diethyl -azanium chloride
  • PSA 42.01000
  • LogP 4.67300

N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(diethylamino)ethyl ester, HCl Chemical Properties

IUPAC Name: 2-[1-(3,5-dimethylphenoxy)propan-2-yl-ethylcarbamoyl]oxyethyl-diethylazanium chloride 
Empirical Formula: C20H35ClN2O3
Molecular Weight: 386.9565g/mol
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 11
Exact Mass: 386.233621
MonoIsotopic Mass: 386.233621
Topological Polar Surface Area: 43.2
Heavy Atom Count: 26
Formal Charge: 0
Complexity: 364 
Flash Point: 228.9 °C
Enthalpy of Vaporization: 71.46 kJ/mol
Boiling Point: 454.9 °C at 760 mmHg
Vapour Pressure: 1.83E-08 mmHg at 25°C
Canonical SMILES: CC[NH+](CC)CCOC(=O)N(CC)C(C)COC1=CC(=CC(=C1)C)C.[Cl-]
InChI: InChI=1S/C20H34N2O3.ClH/c1-7-21(8-2)10-11-24-20(23)22(9-3)18(6)15-25-19-13-16(4)12-17(5)14-19;/h12-14,18H,7-11,15H2,1-6H3;1H
InChIKey: AAXLJRGLJUBBDQ-UHFFFAOYSA-N
Structure of N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(diethylamino)ethyl ester, HCl (CAS NO.101491-85-4):

N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(diethylamino)ethyl ester, HCl Toxicity Data With Reference

1.    

eye-rbt 2% SEV

     ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),113.
2.    

scu-mus LD50:202 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),113.

N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(diethylamino)ethyl ester, HCl Safety Profile

Poison by subcutaneous route. A severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES and ESTERS.

N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(diethylamino)ethyl ester, HCl Specification

  N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(diethylamino)ethyl ester, HCl , its cas register number is 101491-85-4. It also can be called C 2142 . N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(diethylamino)ethyl ester, HCl (CAS NO.101491-85-4) has a severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.

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