Isoquinolinium, 2-ethyl-5-hydroxy-, bromide
Basic information
- CAS
4501-30-8- Standard SMILES
CC[n+]1ccc2c(O)cccc2c1.[Br-]- InChIKey
DGBDVEWOXFCLJE-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO
- Average molar mass
- 254.12 g/mol
- Monoisotopic mass
- 253.01023
Overview
See also: 2-Ethyl-5-hydroxyisoquinolinium bromide (annotation moved to).
Names & identifiers
- Preferred name
- Isoquinolinium, 2-ethyl-5-hydroxy-, bromide
- IUPAC
- 2-ethylisoquinolin-2-ium-5-ol bromide
- English name
- 2-Ethyl-5-hydroxyisoquinolinium bromide
- Molecular formula
- C11H12BrNO
- Molecular weight
- 254.12308
Names & synonyms
ISOQUINOLINIUM, 2-ETHYL-5-HYDROXY-, BROMIDERefChem:10877974501-30-82-Ethyl-5-hydroxyisoquinolinium, bromide2-Ethyl-5-hydroxyisoquinolin-2-ium bromideDTXSID101381484AKOS0243337122-ethylisoquinolin-2-ium-5-ol;bromide2-Ethyl-5-hydroxyisoquinolinium bromide
Database identifiers
- CAS
4501-30-8- PubChem CID
- 20588
- DTXSID
DTXSID101381484
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 209.4 · 209.4-210.6 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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