1,7-Diazabicyclo[2.2.1]heptane
Basic information
- CAS
279-42-5- Standard SMILES
C1CN2CCC1N2- InChIKey
OLQNNQUNPCTRNY-UHFFFAOYSA-N- Molecular formula
- C5H10N2
- Average molar mass
- 98.15 g/mol
- Monoisotopic mass
- 98.08439833
Names & identifiers
- Preferred name
- 1,7-Diazabicyclo[2.2.1]heptane
- IUPAC
- 1,7-diazabicyclo[2.2.1]heptane
- English name
- 1,7-Diazabicyclo[2.2.1]heptane
- Molecular formula
- C5H10N2
- Molecular weight
- 98.15
Names & synonyms
1,7-Diazabicyclo[2.2.1]heptane279-42-51,7-Diazabicyclo[2.2.0]heptaneSCHEMBL10901917DTXSID50338744OLQNNQUNPCTRNY-UHFFFAOYSA-N1,7-Diazabicyclo[2.2.1]heptane #1,7-Diazabicyclo[2.2.1]heptane (8CI,9CI)
Database identifiers
- CAS
279-42-5- PubChem CID
- 550894
- DTXSID
DTXSID50338744
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 74.1
Physicochemical properties
- Boiling point
- 86 · 86-87 °C(Press: 30 Torr)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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