1-Propan-2-yl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
Basic information
- CAS
53213-55-1- Standard SMILES
Br.CC(C)C1NCCc2cc(O)c(O)cc21- InChIKey
ULRUADXDIYXSAO-UHFFFAOYSA-N- Molecular formula
- C12H18BrNO2
- Average molar mass
- 288.18 g/mol
- Monoisotopic mass
- 287.05209
Names & identifiers
- Preferred name
- 1-Propan-2-yl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
- IUPAC
- 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
Names & synonyms
53213-55-1DTXSID80712715NSC41868NSC-418681-(Propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol--hydrogen bromide (1/1)
Database identifiers
- CAS
53213-55-1- PubChem CID
- 54599320
- DTXSID
DTXSID80712715
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…