Basic information
- CAS
50341-76-9- Standard SMILES
CCCCN(CCN(CC)CC)C(=O)c1ccc2ccccc2c1- InChIKey
STIYSIIPFGYGFP-UHFFFAOYSA-N- Molecular formula
- C21H30N2O
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.23581359
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, N-butyl-N-(2-(diethylamino)ethyl)-
- IUPAC
- N-butyl-N-[2-(diethylamino)ethyl]naphthalene-2-carboxamide
- English name
- N-Butyl-N-[2-(diethylamino)ethyl]-2-naphthalenecarboxamide
- Molecular formula
- C21H30N2O
- Molecular weight
- 326.48
Names & synonyms
50341-76-9BRN 24681542-NAPHTHALENECARBOXAMIDE, N-BUTYL-N-(2-(DIETHYLAMINO)ETHYL)-N-Butyl-N-(2-(diethylamino)ethyl)-2-naphthalenecarboxamideDTXSID00198395N-Butyl-N-[2-(diethylamino)ethyl]-2-naphthalenecarboxamideRefChem:264144DTXCID30120886N-butyl-N-[2-(diethylamino)ethyl]naphthalene-2-carboxamideDB-266123N-butyl-N-[2-(diethylamino)ethyl ]-2-naphthalenecarboxamide2-Naphthalenecarboxamide, N-butyl-N-[2-(diethylamino)ethyl]-
Database identifiers
- CAS
50341-76-9- PubChem CID
- 39648
- DTXSID
DTXSID00198395- Nikkaji
- J85.519G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 476 · 476.0±28.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- pka
- 9.1 · 9.10±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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