Basic information
- CAS
40248-01-9- Standard SMILES
CNc1cc(O)cc(O)c1- InChIKey
DDQAFFLMUSVRSQ-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Names & identifiers
- Preferred name
- 1,3-Benzenediol, 5-(methylamino)-
- IUPAC
- 5-(methylamino)benzene-1,3-diol
Names & synonyms
5-(methylamino)benzene-1,3-diol1,3-Benzenediol, 5-(methylamino)-40248-01-9N-Methyl-3,5-dihydroxyanilineSCHEMBL128139DTXSID50343075DDQAFFLMUSVRSQ-UHFFFAOYSA-N5-(Methylamino)-1,3-benzenediol #AKOS006357508
Database identifiers
- CAS
40248-01-9- PubChem CID
- 587240
- DTXSID
DTXSID50343075
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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