Cas no 1220035-66-4 (3-(2-Cyclohexylethyl)pyrrolidine)

3-(2-Cyclohexylethyl)pyrrolidine structure
1220035-66-4 structure
Product Name:3-(2-Cyclohexylethyl)pyrrolidine
CAS No:1220035-66-4
MF:C12H23N
MW:181.31772351265
CID:3047474
PubChem ID:53409214
Update Time:2024-11-05

3-(2-Cyclohexylethyl)pyrrolidine Chemical and Physical Properties

Names and Identifiers

    • 3-(2-Cyclohexylethyl)pyrrolidine
    • Pyrrolidine, 3-(2-cyclohexylethyl)-
    • 1220035-66-4
    • EN300-1831587
    • AKOS006337035
    • Inchi: 1S/C12H23N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h11-13H,1-10H2
    • InChI Key: DPAQXQNDWXXIJB-UHFFFAOYSA-N
    • SMILES: N1CCC(CCC2CCCCC2)C1

Computed Properties

  • Exact Mass: 181.183049738g/mol
  • Monoisotopic Mass: 181.183049738g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 0.9±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 251.0±8.0 °C at 760 mmHg
  • Flash Point: 103.7±16.5 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

3-(2-Cyclohexylethyl)pyrrolidine Security Information

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