Basic information
- CAS
35059-15-5- Standard SMILES
C[NH+](C)C1CCc2c(ccc(O)c2O)C1.[Br-]- InChIKey
ZVEPOABKGHLGNE-UHFFFAOYSA-N- Molecular formula
- C12H18BrNO2
- Average molar mass
- 288.18 g/mol
- Monoisotopic mass
- 287.05209
Names & identifiers
- Preferred name
- 1,2-Naphthalenediol, 5,6,7,8-tetrahydro-6-dimethylamino-, hydrobromide
- IUPAC
- (5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-dimethylazanium bromide
Names & synonyms
1,2-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-DIMETHYLAMINO-, HYDROBROMIDERefChem:10523786-Dimethylamino-5,6,7,8-tetrahydro-1,2-naphthalenediol hydrobromide35059-15-5
Database identifiers
- CAS
35059-15-5- PubChem CID
- 37032
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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