2-Azabicyclo(2.1.1)hexane
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Basic information
- CAS
34392-24-0- Standard SMILES
C1NC2CC1C2- InChIKey
HAHYXYKFMHJMIE-UHFFFAOYSA-N- Molecular formula
- C5H9N
- Average molar mass
- 83.13 g/mol
- Monoisotopic mass
- 83.07349929
Names & identifiers
- Preferred name
- 2-Azabicyclo(2.1.1)hexane
- IUPAC
- 2-azabicyclo[2.1.1]hexane
- English name
- 2-Aza-bicyclo[2.1.1]hexane
- Molecular formula
- C5H9N
- Molecular weight
- 83.13
Names & synonyms
2-Azabicyclo[2.1.1]hexane34392-24-0DTXSID806224462-Azabicyclo(2.1.1)hexaneRefChem:1062270DTXCID605732002-Aza-bicyclo[2.1.1]hexane(1s,4s)-2-azabicyclo[2.1.1]hexaneMFCD17016725SCHEMBL256047SCHEMBL329007SCHEMBL1427376
Show more names
3-azabicyclo[2.1.1]hexane
SCHEMBL3597745SCHEMBL29081648AKOS006336480AKOS016007647SB11443SY250611EN300-53470P12110
Database identifiers
- CAS
34392-24-0- PubChem CID
- 22101702
- DTXSID
DTXSID80622446- Nikkaji
- J3.562.747B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 64.3
Physicochemical properties
- Boiling point
- 121 · 121.0±8.0 °C(Predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- pka
- 11.26 · 11.26±0.20(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
1 records
Compound notes
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