Cas no 1119-29-5 (Pentanamide, 4-methyl-)

Pentanamide, 4-methyl- structure
Pentanamide, 4-methyl- structure
Product Name:Pentanamide, 4-methyl-
CAS No:1119-29-5
MF:C6H13NO
MW:115.173521757126
CID:139856
PubChem ID:290807
Update Time:2025-04-19

Pentanamide, 4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Pentanamide, 4-methyl-
    • 4-methylpentanamide
    • &#947
    • 4-Methyl-N-valeramide
    • 4-Methylvaleramide
    • -Methylvaleramide
    • Valeramide, 4-methyl-
    • JAU37FCS3J
    • .gamma.-Methylvaleramide
    • DTXSID80302918
    • ACMPWZQOUILVFB-UHFFFAOYSA-N
    • Isocaproic acid amide
    • NSC-155217
    • SCHEMBL105245
    • 1119-29-5
    • isobutylacetamide
    • 4-Methylpentanamide #
    • AKOS008937550
    • NSC155217
    • gamma-Methylvaleramide
    • G67645
    • DTXCID10254052
    • Inchi: 1S/C6H13NO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
    • InChI Key: ACMPWZQOUILVFB-UHFFFAOYSA-N
    • SMILES: O=C(CCC(C)C)N

Computed Properties

  • Exact Mass: 115.09979
  • Monoisotopic Mass: 115.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 78.6
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.8
  • Topological Polar Surface Area: 43.1A^2

Experimental Properties

  • Density: 0.894
  • Boiling Point: 245.2°C at 760 mmHg
  • Flash Point: 102.1°C
  • Refractive Index: 1.431
  • PSA: 43.09
  • Solubility: Soluble in water and ethanol.

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