Basic information
- CAS
13326-29-9- Standard SMILES
CN(C)CCCC(C#N)(CCCN(C)C)c1cccc2ccccc12- InChIKey
CGJBJBVOFNCGRX-UHFFFAOYSA-N- Molecular formula
- C22H31N3
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.251798
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha,alpha-bis(3-(dimethylamino)propyl)-
- IUPAC
- 5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-ylpentanenitrile
- English name
- α,α-Bis[3-(dimethylamino)propyl]-1-naphthaleneacetonitrile
- Molecular formula
- C22H31N3
- Molecular weight
- 337.5
Names & synonyms
13326-29-9BRN 27693431-NAPHTHALENEACETONITRILE, alpha,alpha-BIS(3-(DIMETHYLAMINO)PROPYL)-DTXSID00158030alpha,alpha-Bis(3-(dimethylamino)propyl)-1-naphthaleneacetonitrilealpha,alpha-Bis[3-(dimethylamino)propyl]-1-naphthaleneacetonitrileRefChem:232217DTXCID60805215-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-ylpentanenitrile5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-(naphthalen-1-yl)pentanenitrileα,α-Bis[3-(dimethylamino)propyl]-1-naphthaleneacetonitrile1-Naphthaleneacetonitrile, α,α-bis[3-(dimethylamino)propyl]-
Database identifiers
- CAS
13326-29-9- PubChem CID
- 25870
- DTXSID
DTXSID00158030- Nikkaji
- J85.508A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 496.7 · 496.7±45.0 °C(Predicted)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- pka
- 9.71 · 9.71±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…