(1R,4R)-1,2-Dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7,8-triol
Basic information
- CAS
79201-29-9- Standard SMILES
C[C@@H]1c2c(ccc(O)c2O)[C@@H](O)CN1C- InChIKey
FFPOPDFIKAHFHN-MUWHJKNJSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
Names & identifiers
- Preferred name
- (1R,4R)-1,2-Dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7,8-triol
- IUPAC
- (1R,4R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-4,7,8-triol
- English name
- 4,7,8-Isoquinolinetriol, 1,2,3,4-tetrahydro-1,2-dimethyl-, (1R-trans)- (9CI)
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.2417
Names & synonyms
79201-29-9(1R,4R)-1,2-Dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7,8-triol4,7,8-isoquinolinetriol,1,2,3,4-tetrahydro-1,2-dimethyl-,trans-769878-08-24,7,8-Isoquinolinetriol, 1,2,3,4-tetrahydro-1,2-dimethyl-, (1R-trans)- (9CI)
Database identifiers
- CAS
79201-29-9
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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