1-Naphthaleneacetonitrile, alpha-ethyl-alpha-(2-morpholinoethyl)-
Basic information
- CAS
2746-76-1- Standard SMILES
CCC(C#N)(CCN1CCOCC1)c1cccc2ccccc12- InChIKey
SCPZOIWRCCWRND-UHFFFAOYSA-N- Molecular formula
- C20H24N2O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.18886339
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-ethyl-alpha-(2-morpholinoethyl)-
- IUPAC
- 2-ethyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
- English name
- α-Ethyl-α-(2-morpholinoethyl)-1-naphthaleneacetonitrile
- Molecular formula
- C20H24N2O
- Molecular weight
- 308.42
Names & synonyms
2746-76-11-NAPHTHALENEACETONITRILE, alpha-ETHYL-alpha-(2-MORPHOLINOETHYL)-RefChem:1055961BRN 0562088alpha-Ethyl-alpha-(2-morpholinoethyl)-1-naphthaleneacetonitrileDTXSID209501392-ETHYL-4-(MORPHOLIN-4-YL)-2-(NAPHTHALEN-1-YL)BUTANENITRILE4-Morpholinebutanenitrile, α-ethyl-α-1-naphthalenyl-α-Ethyl-α-(2-morpholinoethyl)-1-naphthaleneacetonitrile
Database identifiers
- CAS
2746-76-1- PubChem CID
- 17666
- DTXSID
DTXSID20950139- Nikkaji
- J42.412I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 494.6 · 494.6±45.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 6.63 · 6.63±0.10(Predicted)
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Compound notes
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