2-Cyanoquinuclidine
Basic information
- CAS
90196-91-1- Standard SMILES
N#CC1CC2CCN1CC2- InChIKey
NZOYWQFJJHBAAF-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- 2-Cyanoquinuclidine
- IUPAC
- 1-azabicyclo[2.2.2]octane-2-carbonitrile
- English name
- 2-Cyanoquinuclidine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
2-Cyanoquinuclidine90196-91-1Quinuclidine-2-carbonitrile1-azabicyclo[2.2.2]octane-2-carbonitrile1-azabicyclo[2.2.2]octane-7-carbonitrileMFCD225712331-azabicyclo[2.2.2]-octane, 2-cyano1-azabicyclo(2.2.2)-octane, 2-cyano-SCHEMBL9585978NZOYWQFJJHBAAF-UHFFFAOYSA-NCS-M1534AKOS030618169
Show more names
CS-13396DB-251444F789212
Database identifiers
- CAS
90196-91-1- PubChem CID
- 145209
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 105 · 105-121 °C(Press: 13 Torr)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 7.09 · 7.09±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
12 records
Compound notes
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