Cas no 86949-84-0 (3-Azabicyclo[3.3.1]nonan-9-one)

3-Azabicyclo[3.3.1]nonan-9-one is a bicyclic organic compound featuring a rigid azabicyclic scaffold, which serves as a valuable intermediate in pharmaceutical and synthetic chemistry. Its fused ring structure imparts steric constraints and stereochemical control, making it useful for constructing complex molecules, particularly in medicinal chemistry for drug discovery. The ketone functionality at the 9-position offers a reactive site for further derivatization, enabling the synthesis of diverse analogs. This compound is often employed in the development of bioactive molecules, including CNS-targeting agents, due to its structural similarity to pharmacologically relevant frameworks. High purity and well-defined stereochemistry ensure reproducibility in research applications.
3-Azabicyclo[3.3.1]nonan-9-one structure
86949-84-0 structure
Product Name:3-Azabicyclo[3.3.1]nonan-9-one
CAS No:86949-84-0
MF:C8H13NO
MW:139.194922208786
CID:2809646
PubChem ID:55220509
Update Time:2025-05-27

3-Azabicyclo[3.3.1]nonan-9-one Chemical and Physical Properties

Names and Identifiers

    • 86949-84-0
    • SCHEMBL9636603
    • 3-Azabicyclo[3.3.1]nonan-9-one
    • EN300-59567
    • F13537
    • AKOS006240511
    • DTXSID20716898
    • Inchi： 1S/C8H13NO/c10-8-6-2-1-3-7(8)5-9-4-6/h6-7,9H,1-5H2
    • InChI Key： DBWLVRLNIRJCQE-UHFFFAOYSA-N
    • SMILES： O=C1C2CNCC1CCC2

Computed Properties

  • Exact Mass: 139.099714038Da
  • Monoisotopic Mass: 139.099714038Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 141
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 29.1?2

3-Azabicyclo[3.3.1]nonan-9-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM526849-1g
3-Azabicyclo[3.3.1]nonan-9-one
 86949-84-0 97%
1g
 $*** 2023-03-30
Enamine
EN300-59567-0.05g
3-azabicyclo[3.3.1]nonan-9-one
 86949-84-0 95.0%
0.05g
 $1091.0 2025-03-15
Enamine
EN300-59567-0.1g
3-azabicyclo[3.3.1]nonan-9-one
 86949-84-0 95.0%
0.1g
 $1144.0 2025-03-15
Enamine
EN300-59567-0.25g
3-azabicyclo[3.3.1]nonan-9-one
 86949-84-0 95.0%
0.25g
 $1196.0 2025-03-15
Enamine
EN300-59567-0.5g
3-azabicyclo[3.3.1]nonan-9-one
 86949-84-0 95.0%
0.5g
 $1247.0 2025-03-15
Enamine
EN300-59567-1.0g
3-azabicyclo[3.3.1]nonan-9-one
 86949-84-0 95.0%
1.0g
 $1299.0 2025-03-15
Enamine
EN300-59567-2.5g
3-azabicyclo[3.3.1]nonan-9-one
 86949-84-0 95.0%
2.5g
 $2548.0 2025-03-15
Enamine
EN300-59567-5.0g
3-azabicyclo[3.3.1]nonan-9-one
 86949-84-0 95.0%
5.0g
 $3770.0 2025-03-15
Enamine
EN300-59567-10.0g
3-azabicyclo[3.3.1]nonan-9-one
 86949-84-0 95.0%
10.0g
 $5590.0 2025-03-15

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