Basic information
- CAS
324016-89-9- Standard SMILES
Oc1ccccc1C=Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1- InChIKey
BXNNSVSYOZRPCZ-UHFFFAOYSA-N- Molecular formula
- C23H25NO2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.18852904
Names & identifiers
- Preferred name
- 3-{4-[(2-Hydroxybenzylidene)amino]phenyl}-1-adamantanol
- IUPAC
- 3-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]adamantan-1-ol
- English name
- 3-{4-[(2-hydroxybenzylidene)amino]phenyl}-1-adamantanol
- Molecular formula
- C23H25NO2
- Molecular weight
- 347.45
Names & synonyms
3-{4-[(2-hydroxybenzylidene)amino]phenyl}-1-adamantanol3-(4-{(Z)-[(2-hydroxyphenyl)methylidene]amino}phenyl)adamantan-1-ol3-{4-[(Z)-[(2-hydroxyphenyl)methylidene]amino]phenyl}adamantan-1-olOprea1_669578AKOS001593261AKOS025150894AE-848/343300443-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]adamantan-1-ol
Database identifiers
- CAS
324016-89-9- PubChem CID
- 3406158
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Physicochemical properties
- Boiling point
- 531.551 · 531.551±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.286 · 1.286±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.454 · 8.454±0.30(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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