Cas no 5827-75-8 (n-Isobutylpropionamide)

n-Isobutylpropionamide structure
n-Isobutylpropionamide structure
Product Name:n-Isobutylpropionamide
CAS No:5827-75-8
MF:C7H15NO
MW:129.200102090836
MDL:MFCD01345651
CID:948294
PubChem ID:347479
Update Time:2025-04-19

n-Isobutylpropionamide Chemical and Physical Properties

Names and Identifiers

    • N-(2-methylpropyl)propanamide
    • N-Isobutylpropionamide
    • AC1L87ER
    • NCIOpen2_003731
    • N-iso-butylpropionamide
    • NSC406183
    • Propanamide, N-isobutyl
    • QTVUDNOFBZLOHM-UHFFFAOYSA-N
    • SY034683
    • 5827-75-8
    • SCHEMBL564899
    • DA-42026
    • MFCD01345651
    • DTXSID50324268
    • AC2518
    • CS-11986
    • AKOS003852810
    • A869487
    • NSC-406183
    • CS-0152594
    • NSC 406183
    • n-Isobutylpropionamide
    • MDL: MFCD01345651
    • Inchi: 1S/C7H15NO/c1-4-7(9)8-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
    • InChI Key: QTVUDNOFBZLOHM-UHFFFAOYSA-N
    • SMILES: O=C(CC)NCC(C)C

Computed Properties

  • Exact Mass: 129.11545
  • Monoisotopic Mass: 129.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 88.9
  • 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
  • Topological Polar Surface Area: 29.1
  • XLogP3: 1.3

Experimental Properties

  • Color/Form: NA
  • Density: 0.859±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 5-7 oC
  • Boiling Point: 140-150 oC (15 Torr)
  • Flash Point: 116.4±3.4 oC,
  • Refractive Index: 1.525 (589.3 nm 20 oC)
  • Solubility: Slightly soluble (13 g/l) (25 o C),
  • PSA: 29.1
  • LogP: 1.55950

n-Isobutylpropionamide Security Information

n-Isobutylpropionamide Pricemore >>

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