Cas no 61472-23-9 (azepan-3-ylmethanol)

azepan-3-ylmethanol structure
azepan-3-ylmethanol structure
Product Name:azepan-3-ylmethanol
CAS No:61472-23-9
MF:C7H15NO
MW:129.200102090836
CID:478032
PubChem ID:21901984
Update Time:2025-04-19

azepan-3-ylmethanol Chemical and Physical Properties

Names and Identifiers

    • 1H-Azepine-3-methanol, hexahydro-
    • azepan-3-ylmethanol
    • HEXAHYDRO-1H-AZEPINE-3-METHANOL
    • hexahydroazepin-3-yl-methanol
    • EN300-147890
    • AKOS006351307
    • 61472-23-9
    • DTXSID00619772
    • (Azepan-3-yl)methanol
    • CS-0183378
    • UKEIQQPQNDQZRC-UHFFFAOYSA-N
    • Azepan-3-yl-methanol
    • SCHEMBL2070019
    • DB-265187
    • Inchi: 1S/C7H15NO/c9-6-7-3-1-2-4-8-5-7/h7-9H,1-6H2
    • InChI Key: UKEIQQPQNDQZRC-UHFFFAOYSA-N
    • SMILES: OCC1CNCCCC1

Computed Properties

  • Exact Mass: 129.11545
  • Monoisotopic Mass: 129.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 75.3
  • 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
  • XLogP3: 0.2
  • Topological Polar Surface Area: 32.3?2

Experimental Properties

  • Density: 0.931
  • Boiling Point: 219.618°C at 760 mmHg
  • Flash Point: 93.938°C
  • Refractive Index: 1.449
  • PSA: 32.26

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