Cas no 33211-90-4 (Tricyclo[3.3.1.13,7]decan-1-amine,N-octyl-)

Tricyclo[3.3.1.13,7]decan-1-amine,N-octyl- structure
33211-90-4 structure
Product Name:Tricyclo[3.3.1.13,7]decan-1-amine,N-octyl-
CAS No:33211-90-4
MF:C18H33N
MW:263.461325407028
CID:321051
PubChem ID:304600
Update Time:2025-04-19

Tricyclo[3.3.1.13,7]decan-1-amine,N-octyl- Chemical and Physical Properties

Names and Identifiers

    • Tricyclo[3.3.1.13,7]decan-1-amine,N-octyl-
    • N-octyladamantan-1-amine
    • 33211-90-4
    • NSC-197214
    • DTXSID30307953
    • NSC197214
    • Inchi: 1S/C18H33N/c1-2-3-4-5-6-7-8-19-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17,19H,2-14H2,1H3
    • InChI Key: FZAIZZSFCIYGIL-UHFFFAOYSA-N
    • SMILES: N(CCCCCCCC)C12CC3CC(CC(C3)C1)C2

Computed Properties

  • Exact Mass: 263.26149
  • Monoisotopic Mass: 263.261
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 8
  • Complexity: 242
  • 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: 5.9
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 0.94
  • Boiling Point: 335.8°Cat760mmHg
  • Flash Point: 154.4°C
  • Refractive Index: 1.506
  • PSA: 12.03
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