Basic information
- CAS
1199-73-1- Standard SMILES
N#CCN1CC2CCC(CC2)C1- InChIKey
FQSHZFMVVXODNQ-UHFFFAOYSA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134852
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.2.2)nonane-3-acetonitrile
- IUPAC
- 2-(3-azabicyclo[3.2.2]nonan-3-yl)acetonitrile
Names & synonyms
1199-73-1BRN 14237743-AZABICYCLO(3.2.2)NONANE-3-ACETONITRILE3-Cyanomethyl-3-azabicyclo(3.2.2)noname3-Azabicyclo(3.2.2)nonane, 3-cyanomethyl-Acetonitrile, (3-azabicyclo(3.2.2)nonanyl)-DTXSID001526195-20-04-00383 (Beilstein Handbook Reference)RefChem:276768DTXCID4075110(3-Azabicyclo[3.2.2]nonan-3-yl)acetonitrile
Database identifiers
- CAS
1199-73-1- PubChem CID
- 14540
- DTXSID
DTXSID00152619
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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