Basic information
- CAS
101670-56-8- Standard SMILES
[Br-].c1ccc2c(c1)CC[NH+](C1=NCCO1)C2- InChIKey
QOXKLTLEEPHTGF-UHFFFAOYSA-N- Molecular formula
- C12H15BrN2O
- Average molar mass
- 283.16 g/mol
- Monoisotopic mass
- 282.03678
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(2-oxazolin-2-yl)-, hydrobromide
- IUPAC
- 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-4,5-dihydro-1,3-oxazole bromide
Names & synonyms
101670-56-8ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-(2-OXAZOLIN-2-YL)-, HYDROBROMIDERefChem:10877122-(2-Oxazolin-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrobromide
Database identifiers
- CAS
101670-56-8- PubChem CID
- 58699
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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