Cas no 352445-68-2 (4-(3,9-Diazaspiro[5.5]undecan-3-yl)benzonitrile)

4-(3,9-Diazaspiro[5.5]undecan-3-yl)benzonitrile structure
352445-68-2 structure
Product Name:4-(3,9-Diazaspiro[5.5]undecan-3-yl)benzonitrile
CAS No:352445-68-2
MF:C16H21N3
MW:255.358043432236
CID:1033942
PubChem ID:15940810
Update Time:2025-04-20

4-(3,9-Diazaspiro[5.5]undecan-3-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(3,9-Diazaspiro[5.5]undecan-3-yl)benzonitrile
    • 4-(3,9-diaza-spiro[5.5]undec-3-yl)-benzonitrile
    • AGN-PC-00Q4WJ
    • AK132006
    • Benzonitrile, 4-(3,9-diazaspiro[5.5]undec-3-yl)-
    • KB-34008
    • RL03318
    • SureCN1779898
    • DB-304980
    • 352445-68-2
    • J-513358
    • DTXSID30579971
    • SCHEMBL1779898
    • Inchi: 1S/C16H21N3/c17-13-14-1-3-15(4-2-14)19-11-7-16(8-12-19)5-9-18-10-6-16/h1-4,18H,5-12H2
    • InChI Key: GMQPELBCDCDDHW-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC(C#N)=CC=2)CCC2(CCNCC2)CC1

Computed Properties

  • Exact Mass: 255.17373
  • Monoisotopic Mass: 255.173547683g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 332
  • 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: 2.4
  • Topological Polar Surface Area: 39.1?2

Experimental Properties

  • PSA: 39.06

4-(3,9-Diazaspiro[5.5]undecan-3-yl)benzonitrile Pricemore >>

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