Basic information
- CAS
285-76-7- Standard SMILES
C1CC2CN2C1- InChIKey
QRDSDKAGXMWBID-UHFFFAOYSA-N- Molecular formula
- C5H9N
- Average molar mass
- 83.13 g/mol
- Monoisotopic mass
- 83.07349929
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Azabicyclo(3.1.0)hexane
- IUPAC
- 1-azabicyclo[3.1.0]hexane
- English name
- 1-Azabicyclo[3.1.0]hexane
- Molecular formula
- C5H9N
- Molecular weight
- 83.13
Names & synonyms
1-Azabicyclo[3.1.0]hexane1-Azabicyclo(3.1.0)hexane285-76-7DTXSID40951188RefChem:74924DTXCID801379319azabicyclo[3.1.0]hexaneSCHEMBL260589SCHEMBL378584SCHEMBL738734SCHEMBL2255792SCHEMBL2455716
Show more names
SCHEMBL22208074QRDSDKAGXMWBID-UHFFFAOYSA-N
Database identifiers
- CAS
285-76-7- PubChem CID
- 136121
- DTXSID
DTXSID40951188- Nikkaji
- J79.578J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 70.3
Physicochemical properties
- Boiling point
- 110 · 110-112 °C
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 8.6 · 8.60±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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