Basic information
- CAS
22144-75-8- Standard SMILES
C1[C@@H]2[C@H]1[C@@H]1CC[C@H]2N=N1- InChIKey
PLIOTBSWMUBYAR-UMRXKNAASA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439833
Names & identifiers
- Preferred name
- (1R,2R,4S,5S)-6,7-diazatricyclo[3.2.2.02,4]non-6-ene
- IUPAC
- (1R,2R,4S,5S)-6,7-diazatricyclo[3.2.2.02,4]non-6-ene
- English name
- 5β,6β-Methano-1α,4α-azocyclohexane
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
5β,6β-Methano-1α,4α-azocyclohexane(1β,2α,4α,5β)-6,7-Diazatricyclo[3.2.2.02,4]non-6-ene
Database identifiers
- CAS
22144-75-8- PubChem CID
- 101699591
- Nikkaji
- J83.143C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 168.693 · 168.693±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.775 · 1.775±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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