4-[[4-(Diethylamino)phenyl]imino]-1(4H)-naphthalenone
Basic information
- CAS
2363-99-7- Standard SMILES
CCN(CC)c1ccc(N=C2C=CC(=O)c3ccccc32)cc1- InChIKey
GFZAEDHEVXNEEA-UHFFFAOYSA-N- Molecular formula
- C20H20N2O
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.15756327
Names & identifiers
- Preferred name
- 4-[[4-(Diethylamino)phenyl]imino]-1(4H)-naphthalenone
- IUPAC
- 4-[4-(diethylamino)phenyl]iminonaphthalen-1-one
- English name
- 4-[[4-(diethylamino)phenyl]imino]naphthalen-1(4H)-one
- Molecular formula
- C20H20N2O
- Molecular weight
- 304.3856
Names & synonyms
2363-99-74-[[4-(Diethylamino)phenyl]imino]-1(4H)-naphthalenone4-((4-(Diethylamino)phenyl)imino)-1(4H)-naphthalenoneRefChem:2863844-((4-(Diethylamino)phenyl)imino)naphthalen-1(4H)-one4-[4-(diethylamino)phenyl]iminonaphthalen-1-oneEINECS 219-118-04-{[4-(Diethylamino)phenyl]imino}naphthalen-1(4H)-oneSCHEMBL1896739SCHEMBL55095391(4H)-Naphthalenone, 4-[[4-(diethylamino)phenyl]imino]-GFZAEDHEVXNEEA-UHFFFAOYSA-N
Show more names
C.I.49705Fat Blue ZSpirit Blue HZSolvent Blue 22C.I.Solvent Blue 22C.I.Solvent Blue 22:C.I.497054-[[4-(diethylamino)phenyl]imino]naphthalen-1(4H)-one
GFZAEDHEVXNEEA-XUTLUUPISA-NDTXSID901211970AKOS024385307NS00050047ST510359614-{[4-(diethylamino)phenyl]azamethylene}naphthalen-1-one
Database identifiers
- CAS
2363-99-7- PubChem CID
- 75391
- DTXSID
DTXSID901211970- EC Number
- 219-118-0
- Nikkaji
- J84.893J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Melting point
- 114 · 114-117 °C
- Boiling point
- 451.4 · 451.4±45.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.32(Predicted)
Chemistry & industry
Preparation methods
PreparationN1,N1-diethylbenzene-1,4-diamine and Naphthalen-1-ol condensation, in alkaline aqueous solution by air oxidation.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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