2-Hydroxyethyl-[2-hydroxy-2-[4-[1-hydroxy-2-[2-hydroxyethyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium;bromide
Basic information
- CAS
51775-29-2- Standard SMILES
C[N+](C)(CCO)CC(O)c1ccc(C(O)C[N+](C)(C)CCO)cc1.[Br-]- InChIKey
BVQMLDYPOWUOGP-UHFFFAOYSA-M- Molecular formula
- C18H34BrN2O4+
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 421.1702
Names & identifiers
- Preferred name
- 2-Hydroxyethyl-[2-hydroxy-2-[4-[1-hydroxy-2-[2-hydroxyethyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium;bromide
- IUPAC
- 2-hydroxyethyl-[2-hydroxy-2-[4-[1-hydroxy-2-[2-hydroxyethyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium bromide
Names & synonyms
51775-29-2DTXSID00712696NSC152460NSC-1524602-hydroxyethyl-[2-hydroxy-2-[4-[1-hydroxy-2-[2-hydroxyethyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium;bromide
Database identifiers
- CAS
51775-29-2- PubChem CID
- 54599282
- DTXSID
DTXSID00712696
Properties
Computed structural properties
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 321
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Related reactions
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Compound notes
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