2-(Piperidin-1-ylmethyl)prop-2-enenitrile
Basic information
- CAS
27315-95-3- Standard SMILES
C=C(C#N)CN1CCCCC1- InChIKey
OPVQYFLTGBIQKG-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569845
Names & identifiers
- Preferred name
- 2-(Piperidin-1-ylmethyl)prop-2-enenitrile
- IUPAC
- 2-(piperidin-1-ylmethyl)prop-2-enenitrile
- English name
- 2-(Piperidinomethyl)acrylonitrile
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
27315-95-32-(piperidinomethyl)acrylonitrile2-(piperidin-1-ylmethyl)prop-2-enenitrileMFCD000520232-[(piperidin-1-yl)methyl]prop-2-enenitrile2-Piperidin-1-ylmethyl-acrylonitrile2-(Piperidin-1-ylmethyl)acrylonitrile1-Piperidinepropanenitrile,a-methylene-2-(1-piperidylmethyl)prop-2-enenitrile2-PiperidinomethylacrylonitrileSCHEMBL10257031DTXSID50380268
Show more names
2-CYANO-3-(1-PIPERIDINO)PROP-1-ENE1-Piperidinepropanenitrile, α-methylene-
alpha-PiperidinomethylacrylonitrileOPVQYFLTGBIQKG-UHFFFAOYSA-N2-(1-Piperidylmethyl)propenenitrileSBB0867432-(piperidylmethyl)prop-2-enenitrileAKOS006227631AS-5720DB-067763
Database identifiers
- CAS
27315-95-3- PubChem CID
- 2776846
- DTXSID
DTXSID50380268
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 96 °C · 96 °C
- Density
- 0.96 · 0.960±0.06 g/cm3(Predicted)
- pka
- 8.14 · 8.14±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319-H335-H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P310-P304+P340
- 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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319-H335-H312+H332-H315
- Precautionary statements
- P280-P301+P310-P304+P340
Related reactions
7 records
Compound notes
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