Cas no 52764-98-4 (Benzaldehyde,4-(3-azaspiro[5.5]undec-3-yl)-)

Benzaldehyde,4-(3-azaspiro[5.5]undec-3-yl)- structure
52764-98-4 structure
Product Name:Benzaldehyde,4-(3-azaspiro[5.5]undec-3-yl)-
CAS No:52764-98-4
MF:C17H23NO
MW:257.370624780655
CID:378468
PubChem ID:286061
Update Time:2025-04-19

Benzaldehyde,4-(3-azaspiro[5.5]undec-3-yl)- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,4-(3-azaspiro[5.5]undec-3-yl)-
    • 4-(3-azaspiro[5.5]undecan-3-yl)benzaldehyde
    • 4-(3-azaspiro[5.5]undec-3-yl)benzaldehyde
    • AC1L64EF
    • AC1Q6Q6E
    • AG-J-87804
    • AR-1F6060
    • CTK4J6448
    • NSC143756
    • NSC-143756
    • DTXSID30301496
    • 52764-98-4
    • AKOS006169910
    • Inchi: 1S/C17H23NO/c19-14-15-4-6-16(7-5-15)18-12-10-17(11-13-18)8-2-1-3-9-17/h4-7,14H,1-3,8-13H2
    • InChI Key: JFDOJXHCJRGBDD-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC(=CC=1)N1CCC2(CC1)CCCCC2

Computed Properties

  • Exact Mass: 257.17809
  • Monoisotopic Mass: 257.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 290
  • 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: 4.6
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 1.08
  • Boiling Point: 426.2°C at 760 mmHg
  • Flash Point: 165.4°C
  • Refractive Index: 1.572
  • PSA: 20.31
  • LogP: 4.11480
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