Basic information
- CAS
1241-65-2- Standard SMILES
CCC(C)C(C#N)(CCN1CCOCC1)c1cccc2ccccc12- InChIKey
VNUYADCWVCUHBG-UHFFFAOYSA-N- Molecular formula
- C22H28N2O
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.22016352
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-sec-butyl-alpha-(2-morpholinoethyl)-
- IUPAC
- 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile
- English name
- α-(1-Methylpropyl)-α-(2-morpholinoethyl)-1-naphthaleneacetonitrile
- Molecular formula
- C22H28N2O
- Molecular weight
- 336.47
Names & synonyms
1241-65-2BRN 1087846alpha-sec-Butyl-alpha-(2-morpholinoethyl)-1-naphthaleneacetonitrile1-NAPHTHALENEACETONITRILE, alpha-sec-BUTYL-alpha-(2-MORPHOLINOETHYL)-RefChem:2322343-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrilealpha-(1-Methylpropyl)-alpha-(2-morpholinoethyl)-1-naphthaleneacetonitrileDTXSID209247343-METHYL-2-[2-(MORPHOLIN-4-YL)ETHYL]-2-(NAPHTHALEN-1-YL)PENTANENITRILE4-Morpholinebutanenitrile, α-(1-methylpropyl)-α-1-naphthalenyl-α-(1-Methylpropyl)-α-(2-morpholinoethyl)-1-naphthaleneacetonitrile
Database identifiers
- CAS
1241-65-2- PubChem CID
- 14713
- DTXSID
DTXSID20924734- Nikkaji
- J40.729A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Boiling point
- 510.3 · 510.3±50.0 °C(Predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- pka
- 6.61 · 6.61±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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