Cas no 84557-86-8 (Pentanediamide, 3-methyl-)

Pentanediamide, 3-methyl- structure
Pentanediamide, 3-methyl- structure
Product Name:Pentanediamide, 3-methyl-
CAS No:84557-86-8
MF:C6H12N2O2
MW:144.171681404114
CID:666908
PubChem ID:3312491
Update Time:2025-04-19

Pentanediamide, 3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Pentanediamide, 3-methyl-
    • 3-methylpentanediamide
    • 3-methyl-glutaramide
    • SCHEMBL3392036
    • 3-METHYLGLUTARAMIDE
    • 84557-86-8
    • DTXSID70391356
    • AKOS006341717
    • Inchi: 1S/C6H12N2O2/c1-4(2-5(7)9)3-6(8)10/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)
    • InChI Key: GEEJEZGBUIZQTQ-UHFFFAOYSA-N
    • SMILES: O=C(CC(C)CC(N)=O)N

Computed Properties

  • Exact Mass: 144.089877630g/mol
  • Monoisotopic Mass: 144.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 129
  • 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: -1.3
  • Topological Polar Surface Area: 86.2?2
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