Cas no 85237-73-6 (Piperidine,1-methyl-3-(phenylmethyl)-)

Piperidine,1-methyl-3-(phenylmethyl)- structure
85237-73-6 structure
Product Name:Piperidine,1-methyl-3-(phenylmethyl)-
CAS No:85237-73-6
MF:C13H19N
MW:189.29666352272
CID:733460
PubChem ID:3020574
Update Time:2024-03-01

Piperidine,1-methyl-3-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Piperidine,1-methyl-3-(phenylmethyl)-
    • 3-benzyl-1-methylpiperidine
    • 1-Methyl-3-(phenylmethyl)piperidine
    • Einecs 286-434-3
    • Piperidine, 1-methyl-3-(phenylmethyl)-
    • Inchi: 1S/C13H19N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
    • InChI Key: KTGLLSVNOMWZTG-UHFFFAOYSA-N
    • SMILES: N1(C)CCCC(CC2=CC=CC=C2)C1

Computed Properties

  • Exact Mass: 189.15175
  • Monoisotopic Mass: 189.15175
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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: 3.2
  • XLogP3: 3

Experimental Properties

  • Density: 0.966
  • Boiling Point: 266.8°C at 760 mmHg
  • Flash Point: 105.3°C
  • Refractive Index: 1.53
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