1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile
Basic information
- CAS
1036738-82-5- Standard SMILES
N#CC1CCN(S(=O)(=O)C2CC2)CC1- InChIKey
UCYJUHUZUVRJKE-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2S
- Average molar mass
- 214.29 g/mol
- Monoisotopic mass
- 214.07759887
Names & identifiers
- Preferred name
- 1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile
- IUPAC
- 1-cyclopropylsulfonylpiperidine-4-carbonitrile
- English name
- 1-(Cyclopropylsulfonyl)-4-piperidinecarbonitrile
- Molecular formula
- C9H14N2O2S
- Molecular weight
- 214.28
Names & synonyms
1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile1036738-82-51-cyclopropylsulfonylpiperidine-4-carbonitrileMFCD194409531-(Cyclopropylsulfonyl)-4-piperidinecarbonitrileSCHEMBL13411077DTXSID80658043AKOS013879414DS-5510CS-0155379C711551-(Cyclopropa
Show more names
4-Piperidinecarbonitrile, 1-(cyclopropylsulfonyl)-1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile 97%
1-(Cyclopropanesulfonyl)piperidine-4-carbonitrileSY108840DB-362983F322663A1-06260
Database identifiers
- CAS
1036738-82-5- PubChem CID
- 44249484
- DTXSID
DTXSID80658043
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Density
- 1.32 · 1.32
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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