Basic information
- CAS
41191-11-1- Standard SMILES
Br.CN(C)CCc1cccc2c1CCc1ccc(O)c(O)c1-2- InChIKey
XLBMSPHUZQEWEN-UHFFFAOYSA-N- Molecular formula
- C18H22BrNO2
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 363.08339
Names & identifiers
- Preferred name
- 3,4-Phenanthrenediol, 9,10-dihydro-8-(2-(dimethylamino)ethyl)-, hydrobromide
- IUPAC
- 8-[2-(dimethylamino)ethyl]-9,10-dihydrophenanthrene-3,4-diol;hydrobromide
Names & synonyms
41191-11-13,4-Phenanthrenediol, 9,10-dihydro-8-(2-(dimethylamino)ethyl)-, hydrobromide9,10-Dihydro-8-(2-(dimethylamino)ethyl)-3,4-phenanthrenediol hydrobromideDTXSID401941141-(2-Dimethylaminoethyl)-5,6-dihydroxy-9,10-dihydrophenanthrene hydrobromideRefChem:271275DTXCID501166058-[2-(Dimethylamino)ethyl]-9,10-dihydrophenanthrene-3,4-diol--hydrogen bromide (1/1)
Database identifiers
- CAS
41191-11-1- PubChem CID
- 218686
- DTXSID
DTXSID40194114
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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