3,5-Dimethyl-4-[2-(1-naphthalenyl)diazenyl]phenol
Basic information
- CAS
1778-72-9- Standard SMILES
Cc1cc(O)cc(C)c1N=Nc1cccc2ccccc12- InChIKey
CKLRNEUSRAHUFY-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-[2-(1-naphthalenyl)diazenyl]phenol
- IUPAC
- 3,5-dimethyl-4-(naphthalen-1-yldiazenyl)phenol
- English name
- 3,5-dimethyl-4-(1-naphthyldiazenyl)phenol
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33
Names & synonyms
1778-72-93,5-Dimethyl-4-[2-(1-naphthalenyl)diazenyl]phenol3,5-Dimethyl-4-(2-(1-naphthalenyl)diazenyl)phenolRefChem:2719143,5-dimethyl-4-(1-naphthyldiazenyl)phenolCKLRNEUSRAHUFY-FMQUCBEESA-NDTXSID3012344973,5-dimethyl-4-(naphthalen-1-ylhydrazinylidene)cyclohexa-2,5-dien-1-onePhenol, 3,5-dimethyl-4-(1-naphthalenylazo)-AQ-012/427184873,5-Dimethyl-4-[(E)-1-naphthyldiazenyl]phenol #3,5-Dimethyl-4-[(naphthalen-1-yl)diazenyl]phenol
Database identifiers
- CAS
1778-72-9- PubChem CID
- 578741
- DTXSID
DTXSID301234497
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 139 °C · 139 °C
- Boiling point
- 499.58 · 499.580±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.143 · 1.143±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.221 · 9.221±0.23(predicted)
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Compound notes
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