Basic information
- CAS
13326-33-5- Standard SMILES
N#CC(CCCN1CCCC1)c1cccc2ccccc12- InChIKey
HZRMKUFNKPGRQN-UHFFFAOYSA-N- Molecular formula
- C19H22N2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.17829871
Names & identifiers
- Preferred name
- 2-(Naphthalen-1-yl)-5-(pyrrolidin-1-yl)pentanenitrile
- IUPAC
- 2-naphthalen-1-yl-5-pyrrolidin-1-ylpentanenitrile
- English name
- α-[3-(1-Pyrrolidinyl)propyl]-1-naphthaleneacetonitrile
- Molecular formula
- C19H22N2
- Molecular weight
- 278.39
Names & synonyms
13326-33-52-(naphthalen-1-yl)-5-(pyrrolidin-1-yl)pentanenitrileDTXSID90928022RefChem:1061946DTXCID8013567991-Pyrrolidinevaleronitrile, alpha-1-naphthyl-alpha-(3-Pyrrolidinopropyl)-1-naphthaleneacetonitrile1-NAPHTHALENEACETONITRILE, alpha-(3-PYRROLIDINOPROPYL)-1-Pyrrolidinepentanenitrile, α-1-naphthalenyl-α-[3-(1-Pyrrolidinyl)propyl]-1-naphthaleneacetonitrile
Database identifiers
- CAS
13326-33-5- PubChem CID
- 25872
- DTXSID
DTXSID90928022- Nikkaji
- J85.512J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 468.8 · 468.8±38.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 10.33 · 10.33±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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