1,4-Bis(4-methoxyphenyl)phthalazine
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Basic information
- CAS
5441-28-1- Standard SMILES
COc1ccc(-c2nnc(-c3ccc(OC)cc3)c3ccccc23)cc1- InChIKey
SXWJXIUDVYZJFA-UHFFFAOYSA-N- Molecular formula
- C22H18N2O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.13682782
Names & identifiers
- Preferred name
- 1,4-Bis(4-methoxyphenyl)phthalazine
- IUPAC
- 1,4-bis(4-methoxyphenyl)phthalazine
- English name
- 1,4-bis(4-methoxyphenyl)phthalazine
- Molecular formula
- C22H18N2O2
- Molecular weight
- 342.39
Names & synonyms
1,4-bis(4-methoxyphenyl)phthalazine5441-28-1DTXSID20281319RefChem:220191DTXCID30232473NSC21269NSC-21269Phthalazine, 1,4-bis(4-methoxyphenyl)-
Database identifiers
- CAS
5441-28-1- PubChem CID
- 228385
- DTXSID
DTXSID20281319
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 205 · 205-206 °C
- Boiling point
- 551 · 551.0±50.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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