Basic information
- CAS
13326-35-7- Standard SMILES
N#CC(CCCN1CCCCC1)c1cccc2ccccc12- InChIKey
BTRXWGPTVKXTBE-UHFFFAOYSA-N- Molecular formula
- C20H24N2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.19394877
Names & identifiers
- Preferred name
- 2-(Naphthalen-1-yl)-5-(piperidin-1-yl)pentanenitrile
- IUPAC
- 2-naphthalen-1-yl-5-piperidin-1-ylpentanenitrile
- English name
- α-(3-Piperidinopropyl)-1-naphthaleneacetonitrile
- Molecular formula
- C20H24N2
- Molecular weight
- 292.42
Names & synonyms
13326-35-72-(NAPHTHALEN-1-YL)-5-(PIPERIDIN-1-YL)PENTANENITRILEDTXSID50928023RefChem:1061945DTXCID601356800alpha-(3-Piperidinopropyl)-1-naphthaleneacetonitrileBRN 15845772-naphthalen-1-yl-5-piperidin-1-ylpentanenitrile1-Piperidinevaleronitrile, alpha-1-naphthyl-1-NAPHTHALENEACETONITRILE, alpha-(3-PIPERIDINOPROPYL)-1-Piperidinepentanenitrile, α-1-naphthalenyl-α-(3-Piperidinopropyl)-1-naphthaleneacetonitrile
Database identifiers
- CAS
13326-35-7- PubChem CID
- 25873
- DTXSID
DTXSID50928023- Nikkaji
- J85.511A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 481.3 · 481.3±38.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 9.5 · 9.50±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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