Cas no 73622-68-1 (N-(1,4-Dimethylpentyl)-acetoacetamide)

N-(1,4-Dimethylpentyl)-acetoacetamide structure
73622-68-1 structure
Product Name:N-(1,4-Dimethylpentyl)-acetoacetamide
CAS No:73622-68-1
MF:C11H21NO2
MW:199.28994345665
CID:862443
PubChem ID:51857
Update Time:2025-04-19

N-(1,4-Dimethylpentyl)-acetoacetamide Chemical and Physical Properties

Names and Identifiers

    • n-(1,4-dimethylpentyl) acetoacetamide
    • N-(1,4-Dimethylpentyl)-2-acetylacetamide
    • N-(5-methylhexan-2-yl)-3-oxobutanamide
    • AC1L1BUY
    • AC1Q1PAQ
    • ACETOACETAMIDE, N-(1,4-DIMETHYLPENTYL)-
    • AG-G-91447
    • BRN 4384819
    • N-(1,4-Dimethylpentyl)-acetoacetamide
    • NSC 84205
    • WLN: 1Y1&2Y1&MV1V1
    • Butanamide,4-dimethylpentyl)-3-oxo-
    • N-(1,4-dimethylpentyl)-3-oxobutanamide
    • N-(1,4-Dimethylpentyl)acetoacetamide
    • 73622-68-1
    • Butanamide, N-(1,4-dimethylpentyl)-3-oxo-
    • NSC-84205
    • NSC84205
    • Acetoacetamide,4-dimethylpentyl)-
    • AKOS009595172
    • Inchi: 1S/C11H21NO2/c1-8(2)5-6-9(3)12-11(14)7-10(4)13/h8-9H,5-7H2,1-4H3,(H,12,14)
    • InChI Key: NDOJWLCHAUMMPF-UHFFFAOYSA-N
    • SMILES: O=C(CC(C)=O)NC(C)CCC(C)C

Computed Properties

  • Exact Mass: 199.15733
  • Monoisotopic Mass: 199.157228913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 200
  • 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: 1.9
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • Density: 0.9±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 335.4±25.0 °C at 760 mmHg
  • Flash Point: 127.0±23.3 °C
  • PSA: 46.17
  • LogP: 2.29730
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

N-(1,4-Dimethylpentyl)-acetoacetamide Security Information

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