Product Name

  • Name

    phenoxyacetic N,N-diethylamide

  • EINECS
  • CAS No. 3613-97-6
  • Article Data1
  • CAS DataBase
  • Density 1.034g/cm3
  • Solubility
  • Melting Point
  • Formula C12H17 N O2
  • Boiling Point 329.6°Cat760mmHg
  • Molecular Weight 207.272
  • Flash Point 153.1°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3613-97-6 (phenoxyacetic N,N-diethylamide)
  • Hazard Symbols
  • Synonyms N,N-Diethyl-2-phenoxyacetamide;N,N-Diethylphenoxyacetamide; Phenoxyacetic acid diethylamide; R 203; R 203(insect repellent); b-Repellin
  • PSA 29.54000
  • LogP 1.93380

beta-Repellin Chemical Properties

IUPAC Name: N,N-diethyl-2-phenoxyacetamide
Product Name: beta-Repellin 
Synonyms: 3-06-00-00613 (Beilstein Handbook Reference) ; AI3-28924 ; BRN 1912257 ; N,N-Diethyl-2-phenoxyacetamide ; N,N-Diethylamide of phenoxyacetic acid ; P-203 ; Phenoxyacetic acid diethylamide ; beta-Repellin 
Systematic Name: Acetamide, N,N-diethyl-2-phenoxy- ; N,N-Diethyl-2-phenoxyacetamide 
Molecular Weight: 207.26888 [g/mol]
Molecular Formula: C12H17NO2
XLogP3: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 2
Surface Tension: 36.8 dyne/cm
Density: 1.034 g/cm3
Flash Point: 153.1 °C
Enthalpy of Vaporization: 57.21 kJ/mol
Boiling Point: 329.6 °C at 760 mmHg
Vapour Pressure: 0.000175 mmHg at 25°C
Following is the molecular structure of beta-Repellin (CAS NO.3613-97-6) is:

beta-Repellin Toxicity Data With Reference

1.    

cyt-skn-rat 25 g/kg/4W-I

     FATOAO    Farmakologiya i Toksikologiya (Moscow). 40 (1977),454.
2.    

cyt-ipr-mus 250 mg/kg/4W-I

     FATOAO    Farmakologiya i Toksikologiya (Moscow). 40 (1977),454.

beta-Repellin Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

beta-Repellin Specification

Descriptors computed from structure, you can know some information about beta-Repellin (CAS NO.3613-97-6) :
Canonical SMILES: CCN(CC)C(=O)COC1=CC=CC=C1
InChI: InChI=1S/C12H17NO2/c1-3-13(4-2)12(14)10-15-11-8-6-5-7-9-11/h5-9H,3-4,
10H2,1-2H3
InChIKey: CAKRCYBQYAFXDI-UHFFFAOYSA-N
Exact Mass: 207.125929
MonoIsotopic Mass: 207.125929
Topological Polar Surface Area: 29.5
Heavy Atom Count: 15

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