Basic information
- CAS
113163-21-6- Standard SMILES
O[C@H]1C=Cc2c(ccc3cccnc23)[C@@H]1O- InChIKey
XUCKKNOAENHDDZ-AAEUAGOBSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- 7,8-Dihydrobenzo(H)quinoline-7alpha,8beta-diol
- IUPAC
- (7S,8S)-7,8-dihydrobenzo[h]quinoline-7,8-diol
- English name
- BENZO(H)QUINOLINE-7,8-DIHYDRODIOL
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
113163-21-67,8-Dihydrobenzo(H)quinoline-7alpha,8beta-diolCCRIS 2961Benzo(h)quinoline-7,8-dihydrodiolBRN 5015170trans-Benzo(h)quinoline-7,8-dihydrodiolUNII-P3624ANA8Jtrans-7,8-Dihydrobenzo(h)quinoline-7,8-diolP3624ANA8JBenzo(h)quinoline-7,8-diol, 7,8-dihydro-, trans-J2.186.670I7,8-DIHYDROBENZO(H)QUINOLINE-7.ALPHA.,8.BETA.-DIOL
Show more names
Benzo[h]quinoline-7,8-diol, 7,8-dihydro-, (7R,8R)-rel-
BENZO(H)QUINOLINE-7,8-DIOL, 7,8-DIHYDRO-, (7R,8R)-REL-BENZO(H)QUINOLINE-7,8-DIOL, 7,8-DIHYDRO-, (7S,8S)-REL-BENZO[H]QUINOLINE-7,8-DIHYDRODIOLRefChem:199147(7S,8S)-7,8-dihydrobenzo[h]quinoline-7,8-diolDTXSID809210027,8-dihydrobenzo[h]quinoline-7,8-diolQ27286071
Database identifiers
- CAS
113163-21-6- PubChem CID
- 150583
- DTXSID
DTXSID80921002- UNII
- P3624ANA8J
- Nikkaji
- J2.186.670I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 451.005 · 451.005±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.413 · 1.413±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.867 · 12.867±0.40(predicted)
- FDA UNII
- 3624 ANA8J · P3624ANA8J
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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