4-(N-Methylformimidoyl)pyrocatechol
Basic information
- CAS
5766-75-6- Standard SMILES
CN=Cc1ccc(O)c(O)c1- InChIKey
XQPDFCWIXXWPOF-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 4-(N-Methylformimidoyl)pyrocatechol
- IUPAC
- 4-(methyliminomethyl)benzene-1,2-diol
- English name
- 4-[(Methylimino)methyl]pyrocatechol
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
5766-75-64-(N-Methylformimidoyl)pyrocatecholBRN 22442313,4-DihydroxybenzylidenmethylaminPyrocatechol, 4-(N-methylformimidoyl)-3,4-Dihydroxybenzylidenmethylamin [German]4-[(Methylimino)methyl]pyrocatechol1,2-Benzenediol, 4-[(methylimino)methyl]-
Database identifiers
- CAS
5766-75-6- PubChem CID
- 201278
- Nikkaji
- J51.425J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 170 · 170-180 °C
- Boiling point
- 322.5 · 322.5±32.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 9.05 · 9.05±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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