Cas no 78738-37-1 (2-ethylpiperidine)

2-ethylpiperidine structure
2-ethylpiperidine structure
Product Name:2-ethylpiperidine
CAS No:78738-37-1
MF:C7H15N
MW:113.200701951981
CID:984359
Update Time:2022-07-26

2-ethylpiperidine Chemical and Physical Properties

Names and Identifiers

    • 2-ethylpiperidine
    • Inchi: 1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3
    • InChI Key: QBBKKFZGCDJDQK-UHFFFAOYSA-N
    • SMILES: N1CCCCC1CC

Computed Properties

  • Exact Mass: 113.12
  • Monoisotopic Mass: 113.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 61.4
  • 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
  • Topological Polar Surface Area: 12A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 0.8649
  • Melting Point: -18℃
  • Boiling Point: 131.98°C (estimate)
  • Flash Point: 31℃
  • Refractive Index: 1.4494
  • PSA: 12.03000
  • LogP: 1.86730
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