Cas no 642076-72-0 (Cyclohexanone, 3-[(phenylmethyl)amino]-)

Cyclohexanone, 3-[(phenylmethyl)amino]- structure
642076-72-0 structure
Product Name:Cyclohexanone, 3-[(phenylmethyl)amino]-
CAS No:642076-72-0
MF:C13H17NO
MW:203.280183553696
CID:1672640
Update Time:2024-09-03

Cyclohexanone, 3-[(phenylmethyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanone, 3-[(phenylmethyl)amino]-
    • Inchi: 1S/C13H17NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
    • InChI Key: ZGKPYHGRDFPIMF-UHFFFAOYSA-N
    • SMILES: C1(=O)CCCC(NCC2=CC=CC=C2)C1

Computed Properties

  • Exact Mass: 203.13111

Experimental Properties

  • Density: 1.06±0.1 g/cm3(Predicted)
  • Boiling Point: 337.5±35.0 °C(Predicted)
  • PSA: 29.1
  • pka: 8.51±0.20(Predicted)
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