1-[2-(Pyridin-2-yl)ethyl]azocane
Basic information
- CAS
7621-96-7- Standard SMILES
c1ccc(CCN2CCCCCCC2)nc1- InChIKey
BDEHWPNZFREBFL-UHFFFAOYSA-N- Molecular formula
- C14H22N2
- Average molar mass
- 218.34 g/mol
- Monoisotopic mass
- 218.17829871
Names & identifiers
- Preferred name
- 1-[2-(Pyridin-2-yl)ethyl]azocane
- IUPAC
- 1-(2-pyridin-2-ylethyl)azocane
Names & synonyms
7621-96-7NSC190021-[2-(pyridin-2-yl)ethyl]azocaneDTXSID10280896NSC-19002
Database identifiers
- CAS
7621-96-7- PubChem CID
- 227428
- DTXSID
DTXSID10280896
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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