Cas no 62150-22-5 (Heptanal, 2-[(dimethylamino)methyl]-)

Heptanal, 2-[(dimethylamino)methyl]- structure
62150-22-5 structure
Product Name:Heptanal, 2-[(dimethylamino)methyl]-
CAS No:62150-22-5
MF:C10H21NO
MW:171.279843091965
CID:456273
PubChem ID:12507203
Update Time:2025-04-19

Heptanal, 2-[(dimethylamino)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Heptanal, 2-[(dimethylamino)methyl]-
    • 2-[(dimethylamino)methyl]heptanal
    • 62150-22-5
    • DTXSID70500749
    • Inchi: 1S/C10H21NO/c1-4-5-6-7-10(9-12)8-11(2)3/h9-10H,4-8H2,1-3H3
    • InChI Key: OKYYYCHEDZQKKD-UHFFFAOYSA-N
    • SMILES: O=CC(CN(C)C)CCCCC

Computed Properties

  • Exact Mass: 171.16243
  • Monoisotopic Mass: 171.162314293g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 112
  • 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: 2.3
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • PSA: 20.31
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