Basic information
- CAS
120370-70-9- Standard SMILES
Cc1cc(C)c(N=Cc2ccc(O)c(O)c2)c(C)c1- InChIKey
QYDUDDZUDPWGQV-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- Oxphalin
- IUPAC
- 4-[(2,4,6-trimethylphenyl)iminomethyl]benzene-1,2-diol
- English name
- oxphalin
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
OxphalinZimet 26-85120370-70-91-(3,4-Dihydroxybenzylidene)-2,4,6-trimethylanilineSCHEMBL7672002N-(3,4-dihydroxybenzylidene)-2,4,6-trimethylaminobenzene1,2-Benzenediol, 4-(((2,4,6-trimethylphenyl)imino)methyl)-1,2-Benzenediol, 4-[[(2,4,6-trimethylphenyl)imino]methyl]-
Database identifiers
- CAS
120370-70-9- PubChem CID
- 129129
- Nikkaji
- J373.707A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 452.2 · 452.2±45.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 8.61 · 8.61±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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