Cas no 17073-33-5 (Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)-)

Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)- structure
17073-33-5 structure
Product Name:Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)-
CAS No:17073-33-5
MF:C13H27N3O3
MW:273.371783494949
CID:170652
PubChem ID:135502789
Update Time:2025-04-19

Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)- Chemical and Physical Properties

Names and Identifiers

    • Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)-
    • (-)-N-[2-(Hydroxynitrosoamino)-3-methylbutyl]octanamide
    • N-[2-[hydroxy(nitroso)amino]-3-methylbutyl]octanamide
    • Fragin
    • OCTANAMIDE, N-(2-(HYDROXYNITROSAMINO)-3-METHYLBUTYL)-, (-)-
    • 17073-33-5
    • CHEBI:156352
    • (Z)-hydroxyimino-[3-methyl-1-(octanoylamino)butan-2-yl]-oxidoazanium
    • CHEBI:156354
    • BRN 2276653
    • Octanamide, N-(2-(hydroxynitrosoamino)-3-methylbutyl)-, (-)-
    • N-{2-[Hydroxy(nitroso)amino]-3-methylbutyl}octanimidic acid
    • DTXSID60937828
    • Inchi: 1S/C13H27N3O3/c1-4-5-6-7-8-9-13(17)14-10-12(11(2)3)16(19)15-18/h11-12,18H,4-10H2,1-3H3,(H,14,17)/b16-15-
    • InChI Key: SXMAXSCAVUEAAA-NXVVXOECSA-N
    • SMILES: [O-]/[N+](/C(CNC(CCCCCCC)=O)C(C)C)=N\O

Computed Properties

  • Exact Mass: 273.20541
  • Monoisotopic Mass: 273.20524173g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 10
  • Complexity: 280
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 90.4?2

Experimental Properties

  • PSA: 82
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