Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)
Basic information
- CAS
53054-77-6- Standard SMILES
C=CC[n+]1ccc2ccccc2c1.[Br-]- InChIKey
RWONKETZKJXMKA-UHFFFAOYSA-M- Molecular formula
- C12H12BrN
- Average molar mass
- 250.13 g/mol
- Monoisotopic mass
- 249.01531
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)
- IUPAC
- 2-prop-2-enylisoquinolin-2-ium bromide
Names & synonyms
Isoquinolinium, 2-(2-propenyl)-, bromide53054-77-6Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)DTXSID70886030RefChem:149899DTXCID0010253802-prop-2-enylisoquinolin-2-ium;bromideN-allylisoquinolinium bromideSCHEMBL2996332-(PROP-2-EN-1-YL)ISOQUINOLIN-2-IUM BROMIDERWONKETZKJXMKA-UHFFFAOYSA-MHMS1537D15
Show more names
2-prop-2-enylisoquinoline, bromideAKOS024276476ST016339
Database identifiers
- CAS
53054-77-6- PubChem CID
- 104394
- DTXSID
DTXSID70886030
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationIsoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1): INACTIVE
Related reactions
0 records
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Compound notes
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