Product Name

  • Name

    1-[(3-methoxydibenzo[b,d]furan-4-yl)methyl]pyrrolidine

  • EINECS
  • CAS No. 42840-17-5
  • Density 1.206g/cm3
  • Solubility
  • Melting Point
  • Formula C18H19NO2
  • Boiling Point 410°Cat760mmHg
  • Molecular Weight 281.38
  • Flash Point 201.8°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 42840-17-5 (1-[(3-methoxydibenzo[b,d]furan-4-yl)methyl]pyrrolidine)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

3-Methoxy-4-pyrrolidinylmethyldi-benzofuran Chemical Properties

Molecule structure of 3-Methoxy-4-pyrrolidinylmethyldi-benzofuran (CAS NO.42840-17-5) :

IUPAC Name: 1-[(3-methoxydibenzofuran-4-yl)methyl]pyrrolidine 
Molecular Weight: 281.34896 g/mol
Molecular Formula: C18H19NO2 
Density: 1.206 g/cm3 
Boiling Point: 410 °C at 760 mmHg 
Flash Point: 201.8 °C
XLogP3-AA: 4
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 281.141579
MonoIsotopic Mass: 281.141579
Topological Polar Surface Area: 25.6
Heavy Atom Count: 21
Complexity: 355
Index of Refraction: 1.657
Molar Refractivity: 85.84 cm3
Molar Volume: 233.1 cm3
Polarizability: 34.03*10-24 cm3
Surface Tension: 51.4 dyne/cm
Enthalpy of Vaporization: 66.23 kJ/mol
Vapour Pressure: 6.23E-07 mmHg at 25 °C 
Canonical SMILES: COC1=C(C2=C(C=C1)C3=CC=CC=C3O2)CN4CCCC4
InChI: InChI=1S/C18H19NO2/c1-20-16-9-8-14-13-6-2-3-7-17(13)21-18(14)15(16)12-19-10-4-5-11-19/h2-3,6-9H,4-5,10-12H2,1H3
InChIKey of 3-Methoxy-4-pyrrolidinylmethyldi-benzofuran (CAS NO.42840-17-5) : ZFSBQYGDFHMZKS-UHFFFAOYSA-N

3-Methoxy-4-pyrrolidinylmethyldi-benzofuran Toxicity Data With Reference

1.    

orl-mus LD50:838 mg/kg

     TAKHAA    Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. 31 (1972),247.
2.    

ipr-mus LD50:90 mg/kg

     CHTPBA    Chimica Therapeutica. 8 (1973),57.
3.    

orl-mky LD50:1000 µg/kg

     ANYAA9    Annals of the New York Academy of Sciences. 320 (1978),151.
4.    

orl-gpg LD50:10 µg/kg

     ANYAA9    Annals of the New York Academy of Sciences. 320 (1978),151.

3-Methoxy-4-pyrrolidinylmethyldi-benzofuran Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

3-Methoxy-4-pyrrolidinylmethyldi-benzofuran Specification

 3-Methoxy-4-pyrrolidinylmethyldi-benzofuran (CAS NO.42840-17-5) is also called Dibenzofuran, 3-methoxy-4-pyrrolidinomethyl- .

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