Piperidine-2,6-dicarbonitrile
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Basic information
- CAS
41980-31-8- Standard SMILES
N#CC1CCCC(C#N)N1- InChIKey
YIUPHEPARZCBPW-UHFFFAOYSA-N- Molecular formula
- C7H9N3
- Average molar mass
- 135.17 g/mol
- Monoisotopic mass
- 135.0796473
Names & identifiers
- Preferred name
- Piperidine-2,6-dicarbonitrile
- IUPAC
- piperidine-2,6-dicarbonitrile
- English name
- PIPERIDINE-2,6-DICARBONITRILE
- Molecular formula
- C7H9N3
- Molecular weight
- 135.17
Names & synonyms
piperidine-2,6-dicarbonitrile41980-31-8NSC337811SCHEMBL6600728DTXSID10318860CS1131MFCD00956026SBB014562STK503318AKOS005171547NSC-337811SB41473
Show more names
Albb-0052662,6-Piperidinedicarbonitrile
ST098607CS-0313532Pyridine-2,6-dicarbonitrile;2,6-Dicyanopyridine
Database identifiers
- CAS
41980-31-8- PubChem CID
- 333798
- DTXSID
DTXSID10318860
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 114 · 114-115 °C
- Boiling point
- 344.1 · 344.1±42.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 2.84 · 2.84±0.10(Predicted)
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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