Cas no 68488-80-2 ((CYCLOPENTANONE (1-13C) ))

(CYCLOPENTANONE (1-13C) ) structure
(CYCLOPENTANONE (1-13C) ) structure
Product Name:(CYCLOPENTANONE (1-13C) )
CAS No:68488-80-2
MF:C5H8O
MW:85.109076499939
CID:1003638
PubChem ID:16217386
Update Time:2025-04-20

(CYCLOPENTANONE (1-13C) ) Chemical and Physical Properties

Names and Identifiers

    • (CYCLOPENTANONE (1-13C) )
    • CYCLOPENTANONE (1-13C)
    • 2-cyclopentylidenehydrazinecarboxamide
    • AC1Q5JVB
    • cyclopentan-1-one semicarbazone
    • cyclopentanone semicarbazone
    • cyclopentanone-(13)CO
    • cyclopentanone-1-13C
    • Cyclopentanon-semicarbazon
    • Hydrazinecarboxamide, 2-cyclopentylidene-
    • NSC25008
    • semicarbazone of cyclopentanone
    • Semicarbazonocyclopentan
    • Semicarbazono-cyclopentan
    • SureCN9356593
    • (113C)cyclopentanone
    • 68488-80-2
    • cyclopentanone-113c
    • Cyclopentanone(1-13c)
    • Inchi: 1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i5+1
    • InChI Key: BGTOWKSIORTVQH-HOSYLAQJSA-N
    • SMILES: O=[13C]1CCCC1

Computed Properties

  • Exact Mass: 85.060869710g/mol
  • Monoisotopic Mass: 85.060869710g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 58.3
  • 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: 0.4
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 0.962?g/mL?at 25?°C
  • Melting Point: -51?°C(lit.)
  • Boiling Point: 130-131?°C(lit.)
  • Flash Point: 87?°F

(CYCLOPENTANONE (1-13C) ) Security Information

  • Hazardous Material transportation number:UN 2245 3/PG 3
  • WGK Germany:1
  • Hazard Category Code: 10-36/38
  • Safety Instruction: 23
  • Hazardous Material Identification: Xi

(CYCLOPENTANONE (1-13C) ) Related Literature

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