Cas no 801144-27-4 (Piperidine,4,4-bis(2-chloroethyl)-1-methyl-)

Piperidine,4,4-bis(2-chloroethyl)-1-methyl- structure
801144-27-4 structure
Product Name:Piperidine,4,4-bis(2-chloroethyl)-1-methyl-
CAS No:801144-27-4
MF:C10H19Cl2N
MW:224.170561075211
CID:712769
Update Time:2024-02-04

Piperidine,4,4-bis(2-chloroethyl)-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • Piperidine,4,4-bis(2-chloroethyl)-1-methyl-
    • Piperidine, 4,4-bis(2-chloroethyl)-1-methyl- (8CI)
    • Piperidine, 4,4-bis(2-chloroethyl)-1-methyl-
    • Inchi: 1S/C10H19Cl2N/c1-13-8-4-10(2-6-11,3-7-12)5-9-13/h2-9H2,1H3
    • InChI Key: XSNDYAQXNYVDJI-UHFFFAOYSA-N
    • SMILES: N1(C)CCC(CCCl)(CCCl)CC1

Computed Properties

  • Exact Mass: 223.089
  • Monoisotopic Mass: 223.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 134
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.048±0.06 g/cm3(Predicted)
  • Boiling Point: 282.3±5.0 °C(Predicted)
  • pka: 9.12±0.10(Predicted)
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