Cas no 59127-80-9 (2-Pentanone,5-(ethylamino)-)

2-Pentanone,5-(ethylamino)- structure
2-Pentanone,5-(ethylamino)- structure
Product Name:2-Pentanone,5-(ethylamino)-
CAS No:59127-80-9
MF:C7H15NO
MW:129.200102090836
CID:375117
PubChem ID:100963
Update Time:2025-04-19

2-Pentanone,5-(ethylamino)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pentanone,5-(ethylamino)-
    • 5-(ethylamino)pentan-2-one
    • 5-Ethylamino-2-pentanone
    • 59127-80-9
    • R629BV644S
    • SCHEMBL13576250
    • NS00034093
    • 2-Pentanone, 5-(ethylamino)-
    • 5-(ethylamino)-2-pentanone
    • 5-ethylaminopentan-2-one
    • UNII-R629BV644S
    • DTXSID2069311
    • A832887
    • EINECS 261-616-5
    • Inchi: 1S/C7H15NO/c1-3-8-6-4-5-7(2)9/h8H,3-6H2,1-2H3
    • InChI Key: CAEPSWSOZBVDEO-UHFFFAOYSA-N
    • SMILES: O=C(C)CCCNCC

Computed Properties

  • Exact Mass: 129.11545
  • Monoisotopic Mass: 129.115364
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 81
  • 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: 0.2
  • Topological Polar Surface Area: 29.1

Experimental Properties

  • Density: 0.861
  • Boiling Point: 195.1°C at 760 mmHg
  • Flash Point: 76.1°C
  • Refractive Index: 1.421
  • PSA: 29.1
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