Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate
Basic information
- CAS
109513-52-2- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C(CCO)c1ccccc1.[Br-]- InChIKey
JLPLYWKGNATVMB-UHFFFAOYSA-M- Molecular formula
- C17H28BrNO3
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.12526
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate
- IUPAC
- diethyl-[2-(4-hydroxy-2-phenylbutanoyl)oxyethyl]-methylazanium bromide
- English name
- diethyl-[2-(4-hydroxy-2-phenyl-butanoyl)oxyethyl]-methyl-azanium bromide
- Molecular formula
- C17H28BrNO3
- Molecular weight
- 0
Names & synonyms
109513-52-2Diethyl(2-hydroxyethyl)methylammonium bromide 3-hydroxy-2-phenylbutyrateAMMONIUM, DIETHYL(2-HYDROXYETHYL)METHYL-, BROMIDE, 3-HYDROXY-2-PHENYLBUTYRATERefChem:319218diethyl-[2-(4-hydroxy-2-phenylbutanoyl)oxyethyl]-methylazanium;bromideDTXSID40911222DIETHYL-[2-(4-HYDROXY-2-PHENYL-BUTANOYL)OXYETHYL]-METHYL-AZANIUM BROMIDEN,N-Diethyl-2-[(4-hydroxy-2-phenylbutanoyl)oxy]-N-methylethan-1-aminium bromide
Database identifiers
- CAS
109513-52-2- PubChem CID
- 60340
- DTXSID
DTXSID40911222
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 296
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Related reactions
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Compound notes
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