Basic information
- CAS
160637-28-5- Standard SMILES
Cc1ccc2nc3c4c(ccc3c(C)c2c1)[C@H](O)[C@@H](O)C=C4- InChIKey
UJLYFRKAQBARPJ-HKUYNNGSSA-N- Molecular formula
- C19H17NO2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.12592879
Names & identifiers
- Preferred name
- trans-3,4-Dihydro-3,4-dihydroxy-7,9-dimethylbenz[C]acridine
- IUPAC
- (3S,4S)-7,9-dimethyl-3,4-dihydrobenzo[c]acridine-3,4-diol
- English name
- TRANS-3,4-DIHYDRO-3,4-DIHYDROXY-7,9-DIMETHYLBENZ[C]ACRIDINE
- Molecular formula
- C19H17NO2
- Molecular weight
- 291.34
Names & synonyms
160637-28-5TRANS-3,4-DIHYDRO-3,4-DIHYDROXY-7,9-DIMETHYLBENZ[C]ACRIDINE(3S,4S)-7,9-dimethyl-3,4-dihydrobenzo[c]acridine-3,4-dioltrans-3,4-Dihydro-3,4-dihydroxy-7,9-dimethylbenz(c)acridineCCRIS 7372trans-3,4-Dihydro-7,9-dimethylbenz(c)acridine-3,4-diolDTXSID609363567,9-dimethyl-3,4-dihydrobenzo[c]acridine-3,4-diolBenz[c]acridine-3,4-diol, 3,4-dihydro-7,9-dimethyl-, trans- (9CI)
Database identifiers
- CAS
160637-28-5- PubChem CID
- 154754
- DTXSID
DTXSID60936356
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Boiling point
- 550.4 · 550.4±50.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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