Basic information
- CAS
17038-28-7- Standard SMILES
C1NCN2CC12- InChIKey
IESGURQWOKTSMU-UHFFFAOYSA-N- Molecular formula
- C4H8N2
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.06874826
Names & identifiers
- Preferred name
- 1,3-Diazabicyclo(3.1.0)hexane
- IUPAC
- 1,3-diazabicyclo[3.1.0]hexane
- English name
- 1,3-Diazabicyclo[3.1.0]hexane
- Molecular formula
- C4H8N2
- Molecular weight
- 84.12
Names & synonyms
1,3-Diazabicyclo[3.1.0]hexane1,3-Diazobicyclo[3.1.0]hexane17038-28-7DTXSID003363961,3-Diazabicyclo(3.1.0)hexane1,3-Diazobicyclo(3.1.0)hexaneRefChem:218297DTXCID50287485IESGURQWOKTSMU-UHFFFAOYSA-NSCHEMBL10691820AKOS006358236
Database identifiers
- CAS
17038-28-7- PubChem CID
- 533480
- DTXSID
DTXSID00336396- Nikkaji
- J133.715G
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 15 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 71.9
Physicochemical properties
- Boiling point
- 113.3 · 113.3±8.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 10.24 · 10.24±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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