Basic information
- CAS
361462-41-1- Standard SMILES
CN(CCO)c1ccc(C(F)(F)F)cc1N=Cc1c(O)ccc2ccccc12- InChIKey
OQOBTCYQSSSBMI-UHFFFAOYSA-N- Molecular formula
- C21H19F3N2O2
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.13986234
Names & identifiers
- Preferred name
- 1-[(E)-({2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl}imino)methyl]naphthalen-2-ol
- IUPAC
- 1-[[2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
- English name
- 1-({[2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl]imino}methyl)-2-naphthol
- Molecular formula
- C21H19F3N2O2
- Molecular weight
- 388.38
Names & synonyms
STK763923AKOS001739454EU-0085963AG-205/151550781-({[2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl]imino}methyl)-2-naphthol1-[({2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl}imino)methyl]naphthalen-2-ol1-[(E)-({2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl}imino)methyl]naphthalen-2-ol
Database identifiers
- CAS
361462-41-1- PubChem CID
- 1038861
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Boiling point
- 588.12 · 588.120±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.26 · 1.260±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.879 · 7.879±0.50(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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