trans-3,4-Dihydro-3,4-dihydroxy-7,10-dimethylbenz[C]acridine
Basic information
- CAS
160637-30-9- Standard SMILES
Cc1ccc2c(C)c3ccc4c(c3nc2c1)C=C[C@H](O)[C@H]4O- InChIKey
YCFMEUHBQOFKNX-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-7,10-dimethylbenz[C]acridine
- IUPAC
- (3S,4S)-7,10-dimethyl-3,4-dihydrobenzo[c]acridine-3,4-diol
- English name
- trans-3,4-Dihydro-3,4-dihydroxy-7,10-dimethylbenz[c]acridine
- Molecular formula
- C19H17NO2
- Molecular weight
- 291.34
Names & synonyms
160637-30-9TRANS-3,4-DIHYDRO-3,4-DIHYDROXY-7,10-DIMETHYLBENZ[C]ACRIDINE(3S,4S)-7,10-dimethyl-3,4-dihydrobenzo[c]acridine-3,4-dioltrans-3,4-Dihydro-3,4-dihydroxy-7,10-dimethylbenz(c)acridineCCRIS 7378trans-3,4-Dihydro-7,10-dimethylbenz(c)acridine3,4-diolDTXSID809363587,10-dimethyl-3,4-dihydrobenzo[c]acridine-3,4-diolBenz[c]acridine-3,4-diol, 3,4-dihydro-7,10-dimethyl-, trans- (9CI)
Database identifiers
- CAS
160637-30-9- PubChem CID
- 154756
- DTXSID
DTXSID80936358
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
- 552.7 · 552.7±50.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.40(Predicted)
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Compound notes
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