Basic information
- CAS
127394-78-9- Standard SMILES
COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(OC)c2C#N)cc1- InChIKey
CQBJNYFFWHEIRJ-UHFFFAOYSA-N- Molecular formula
- C24H18N2O2
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.13682782
Names & identifiers
- Preferred name
- 2-Methoxy-4-(4-methoxyphenyl)-6-(2-naphthyl)nicotinonitrile
- IUPAC
- 2-methoxy-4-(4-methoxyphenyl)-6-naphthalen-2-ylpyridine-3-carbonitrile
- English name
- 2-Methoxy-4-(4-methoxyphenyl)-6-(2-naphthyl)nicotinonitrile
- Molecular formula
- C24H18N2O2
- Molecular weight
- 366.41
Names & synonyms
AKOS0023448032-METHOXY-4-(4-METHOXYPHENYL)-6-(2-NAPHTHYL)NICOTINONITRILE3-Pyridinecarbonitrile, 2-methoxy-4-(4-methoxyphenyl)-6-(2-naphthalenyl)-
Database identifiers
- CAS
127394-78-9- PubChem CID
- 979900
- EC Number
- 123-004-5
- Nikkaji
- J277.292B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Melting point
- 153 · 153-155 °C
- Boiling point
- 545.965 · 545.965±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.267 · 1.267±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.797 · 2.797±0.10(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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