Cas no 2158-10-3 (N-OCTYLUREA)

N-OCTYLUREA structure
N-OCTYLUREA structure
Product Name:N-OCTYLUREA
CAS No:2158-10-3
MF:C9H20N2O
MW:172.267902374268
CID:911902
PubChem ID:200490
Update Time:2025-07-31

N-OCTYLUREA Chemical and Physical Properties

Names and Identifiers

    • N-OCTYLUREA
    • AC1L44GY
    • AI3-61312
    • BRN 1759386
    • CTK4E7188
    • N-(n-octyl)urea
    • Urea, octyl-
    • DTXSID30175932
    • SCHEMBL81152
    • SCHEMBL24063821
    • n-octyl urea
    • Octylurea
    • 4-04-00-00758 (Beilstein Handbook Reference)
    • 2158-10-3
    • AKOS006273230
    • F76770
    • 1-OCTYLUREA
    • Inchi: 1S/C9H20N2O/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)
    • InChI Key: UBBIDOUCHSVOFY-UHFFFAOYSA-N
    • SMILES: O=C(N)NCCCCCCCC

Computed Properties

  • Exact Mass: 172.1577
  • Monoisotopic Mass: 172.157563
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 115
  • 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: 55.1
  • XLogP3: 2.4

Experimental Properties

  • Density: 0.922
  • Boiling Point: 258°C at 760 mmHg
  • Flash Point: 109.8°C
  • Refractive Index: 1.457
  • PSA: 55.12

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