5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide
Basic information
- CAS
16232-81-8- Standard SMILES
CC[NH+]1CCc2c(cccc2OC(C)=O)C1.[Br-]- InChIKey
FPEFARWGXDPLIZ-UHFFFAOYSA-N- Molecular formula
- C13H18BrNO2
- Average molar mass
- 300.19 g/mol
- Monoisotopic mass
- 299.05209
Names & identifiers
- Preferred name
- 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide
- IUPAC
- (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide
Names & synonyms
16232-81-85-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-2-ETHYL-, ACETATE, HYDROBROMIDERefChem:10730312-Ethyl-5-hydroxy-1,2,3,4-tetrahydroisoquinoline acetate, hydrobromide5-Acetoxy-2-ethyl-1,2,3,4-tetrahydroisoquinolinium bromide
Database identifiers
- CAS
16232-81-8- PubChem CID
- 27764
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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