Cas no 660860-27-5 (1,4-Diazabicyclo[3.2.2]nonane, 4-(3-bromobenzoyl)-)

1,4-Diazabicyclo[3.2.2]nonane, 4-(3-bromobenzoyl)- structure
660860-27-5 structure
Product Name:1,4-Diazabicyclo[3.2.2]nonane, 4-(3-bromobenzoyl)-
CAS No:660860-27-5
MF:C14H17BrN2O
MW:309.201582670212
CID:1703162
Update Time:2024-08-31

1,4-Diazabicyclo[3.2.2]nonane, 4-(3-bromobenzoyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Diazabicyclo[3.2.2]nonane, 4-(3-bromobenzoyl)-
    • Methanone, (3-bromophenyl)-1,4-diazabicyclo[3.2.2]non-4-yl-
    • Inchi: 1S/C14H17BrN2O/c15-12-3-1-2-11(10-12)14(18)17-9-8-16-6-4-13(17)5-7-16/h1-3,10,13H,4-9H2
    • InChI Key: OGZLAVDBQCWTRH-UHFFFAOYSA-N
    • SMILES: C(C1=CC=CC(Br)=C1)(N1C2CCN(CC2)CC1)=O

Computed Properties

  • Exact Mass: 308.05251

Experimental Properties

  • Density: 1.49±0.1 g/cm3(Predicted)
  • Boiling Point: 429.5±30.0 °C(Predicted)
  • PSA: 23.55
  • pka: 9.01±0.20(Predicted)
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