4-(4-Cyanobenzyl)piperidine hydrochloride
Basic information
- CAS
333987-04-5- Standard SMILES
Cl.N#Cc1ccc(CC2CCNCC2)cc1- InChIKey
FRVVADSLOPUQJI-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2
- Average molar mass
- 236.74 g/mol
- Monoisotopic mass
- 236.10802622
Names & identifiers
- Preferred name
- 4-(4-Cyanobenzyl)piperidine hydrochloride
- IUPAC
- 4-(piperidin-4-ylmethyl)benzonitrile;hydrochloride
- English name
- 4-(4-Cyanobenzyl) piperidine HCl
- Molecular formula
- C13H17ClN2
- Molecular weight
- 236.74048
Names & synonyms
333987-04-54-(4-Cyanobenzyl)piperidine hydrochloride4-(piperidin-4-ylmethyl)benzonitrile hydrochloride4-(4-Cyanobenzyl)piperidine, HCl4-(4-CYANOBENZYL) PIPERIDINE HCLMFCD084611944-(piperidin-4-ylmethyl)benzonitrile;hydrochlorideBenzonitrile, 4-(4-piperidinylmethyl)-, monohydrochloride4-(4-CYANOBENZYL)PIPERIDINE HCLbenzonitrile hydrochloride4-(Piperidin-4-ylmethyl)orb3175733
Show more names
4-(piperidin-4-ylmethyl)benzonitrileBenzonitrile, 4-(4-piperidinylmethyl)-, hydrochloride
SCHEMBL4577505DTXSID20469933FRVVADSLOPUQJI-UHFFFAOYSA-NAKOS015847017AC-5060SB43913DS-105844-(Piperidin-4-ylmethyl)benzonitrile hydr
Database identifiers
- CAS
333987-04-5- PubChem CID
- 11644366
- DTXSID
DTXSID20469933
Properties
Computed structural properties
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 196 · 196-198 °C
- storage temp.
- Inert atmosphere,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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