Cas no 349090-42-2 (1-(3-chloropropanoyl)-4-methylpiperidine)

1-(3-chloropropanoyl)-4-methylpiperidine structure
349090-42-2 structure
Product Name:1-(3-chloropropanoyl)-4-methylpiperidine
CAS No:349090-42-2
MF:C9H16ClNO
MW:189.682441711426
MDL:MFCD02973607
CID:919665
PubChem ID:5220338
Update Time:2025-04-19

1-(3-chloropropanoyl)-4-methylpiperidine Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-1-(4-methylpiperidin-1-yl)propan-1-one
    • 1-(3-Chloropropanoyl)-4-methylpiperidine
    • AC1NQFBI
    • AG-F-19816
    • CTK4H3227
    • FT-0683430
    • MolPort-004-306-274
    • SBB051020
    • LS-03755
    • CS-0332697
    • DTXSID50410973
    • SB41153
    • MFCD02973607
    • AKOS000142966
    • 349090-42-2
    • 1-(3-chloropropanoyl)-4-methylpiperidine
    • MDL: MFCD02973607
    • Inchi: 1S/C9H16ClNO/c1-8-3-6-11(7-4-8)9(12)2-5-10/h8H,2-7H2,1H3
    • InChI Key: DGTNYUXFSQHLEP-UHFFFAOYSA-N
    • SMILES: ClCCC(N1CCC(C)CC1)=O

Computed Properties

  • Exact Mass: 189.09218
  • Monoisotopic Mass: 189.0920418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 153
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 301.0±25.0 °C at 760 mmHg
  • Flash Point: 179.4±24.6 °C
  • PSA: 20.31

1-(3-chloropropanoyl)-4-methylpiperidine Security Information

1-(3-chloropropanoyl)-4-methylpiperidine Pricemore >>

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