Basic information
- CAS
4512-82-7- Standard SMILES
CC[NH+]1CCc2c(O)cccc2C1.[Br-]- InChIKey
HHXJQWUXHSIFMY-UHFFFAOYSA-N- Molecular formula
- C11H16BrNO
- Average molar mass
- 258.15 g/mol
- Monoisotopic mass
- 257.04153
Names & identifiers
- Preferred name
- 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide
- IUPAC
- 2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol bromide
- English name
- 2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol bromide
- Molecular formula
- C11H16BrNO
- Molecular weight
- 0
Names & synonyms
4512-82-75-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-2-ETHYL-, HYDROBROMIDERefChem:10730322-Ethyl-5-hydroxy-1,2,3,4-tetrahydroisoquinoline, hydrobromide2-ethyl-5-hydroxy-1,2,3,4-tetrahydroisoquinolinium bromideDTXSID8013814852-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol;bromide2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol bromide
Database identifiers
- CAS
4512-82-7- PubChem CID
- 20602
- DTXSID
DTXSID801381485
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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