1,6-Diazabicyclo(4.4.4)tetradecane
Basic information
- CAS
71058-67-8- Standard SMILES
C1CCN2CCCCN(C1)CCCC2- InChIKey
YLHFEVRITKXXBJ-UHFFFAOYSA-N- Molecular formula
- C12H24N2
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.19394877
Names & identifiers
- Preferred name
- 1,6-Diazabicyclo(4.4.4)tetradecane
- IUPAC
- 1,6-diazabicyclo[4.4.4]tetradecane
- English name
- 1,6-diazabicyclo[4.4.4]tetradecane
- Molecular formula
- C12H24N2
- Molecular weight
- 196.33
Names & synonyms
1,6-Diazabicyclo[4.4.4]tetradecane1,6-Diazabicyclo(4.4.4)tetradecane71058-67-8DTXSID20221275RefChem:221499DTXCID20143766SCHEMBL514846
Database identifiers
- CAS
71058-67-8- PubChem CID
- 144458
- DTXSID
DTXSID20221275- Nikkaji
- J684.386G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Melting point
- 170 · 170-175 °C
- Boiling point
- 283.5 · 283.5±8.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- pka
- 9.9 · 9.90±0.20(Predicted)
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Related reactions
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Compound notes
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