Cas no 918648-49-4 (3-Heptanone, 7-[methyl(phenylmethyl)amino]-1-phenyl-)

3-Heptanone, 7-[methyl(phenylmethyl)amino]-1-phenyl- structure
918648-49-4 structure
Product Name:3-Heptanone, 7-[methyl(phenylmethyl)amino]-1-phenyl-
CAS No:918648-49-4
MF:C21H27NO
MW:309.445185899735
CID:772104
PubChem ID:59200525
Update Time:2025-04-19

3-Heptanone, 7-[methyl(phenylmethyl)amino]-1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Heptanone, 7-[methyl(phenylmethyl)amino]-1-phenyl-
    • 7-[benzyl(methyl)amino]-1-phenylheptan-3-one
    • SCHEMBL11982984
    • 918648-49-4
    • DTXSID20731248
    • Inchi: 1S/C21H27NO/c1-22(18-20-12-6-3-7-13-20)17-9-8-14-21(23)16-15-19-10-4-2-5-11-19/h2-7,10-13H,8-9,14-18H2,1H3
    • InChI Key: JROKIGKXWLUYBT-UHFFFAOYSA-N
    • SMILES: O=C(CCC1C=CC=CC=1)CCCCN(C)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 309.209264485g/mol
  • Monoisotopic Mass: 309.209264485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 10
  • Complexity: 316
  • 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: 4
  • Topological Polar Surface Area: 20.3?2
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