Basic information
- CAS
72511-89-8- Standard SMILES
CC1(C)[NH2+]CC(O)c2cc(O)ccc21.[Cl-]- InChIKey
QXSZOMMIBBHJDR-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO2
- Average molar mass
- 229.7 g/mol
- Monoisotopic mass
- 229.0869564
Names & identifiers
- Preferred name
- 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1,1-dimethyl-, hydrochloride (1:1)
- IUPAC
- 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-2-ium-4,6-diol chloride
Names & synonyms
72511-89-8RefChem:10695224,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1,1-dimethyl-, hydrochloride (1:1)1,2,3,4-Tetrahydro-1,1-dimethyl-4,6-isoquinolinediol hydrochloride4,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1,1-DIMETHYL-, HYDROCHLORIDE4,6-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydroisoquinolinium chloride
Database identifiers
- CAS
72511-89-8- PubChem CID
- 51608
Properties
Computed structural properties
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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