N,N,N,2-Tetramethyl-4-oxo-4-(2-(trimethylazaniumyl)ethoxy)butan-2-aminium diiodide
Basic information
- CAS
108903-57-7- Standard SMILES
CC(C)(CC(=O)OCC[N+](C)(C)C)[N+](C)(C)C.[I-].[I-]- InChIKey
YSURAYINXNAKRC-UHFFFAOYSA-L- Molecular formula
- C13H30I2N2O2
- Average molar mass
- 500.2 g/mol
- Monoisotopic mass
- 500.03967
Names & identifiers
- Preferred name
- N,N,N,2-Tetramethyl-4-oxo-4-(2-(trimethylazaniumyl)ethoxy)butan-2-aminium diiodide
- IUPAC
- trimethyl-[2-methyl-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azanium diiodide
- English name
- (2-Carboxy-1,1-dimethylethyl)trimethylammonium iodide ester with choli ne iodide
- Molecular formula
- C13H30N2O2.2I
- Molecular weight
- 500.192
Names & synonyms
108903-57-7DTXSID10910909N,N,N,2-Tetramethyl-4-oxo-4-(2-(trimethylazaniumyl)ethoxy)butan-2-aminium diiodideN,N,N,2-Tetramethyl-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-aminium diiodideRefChem:1090328DTXCID401339951(2-Carboxy-1,1-dimethylethyl)trimethylammonium iodide ester with choline iodide2-Trimethylammonioethyl 3-methyl-3-trimethylammoniobutyrate diiodideAmmonium, (2-carboxy-1,1-dimethylethyl)trimethyl-, iodide, ester with choline iodideNIOSH/EJ4171800(2-Carboxy-1,1-dimethylethyl)trimethylammonium iodide ester with choli ne iodidetrimethyl-[2-methyl-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azanium;diiodide
Show more names
Trimethyl-[2-methyl-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azanium diiodide
EJ417180002-Butanaminium, 4-oxo-N,N,N,2-tetramethyl-4-(2-(trimethylammonio)ethoxy)-, diiodide4-Oxo-N,N,N,2-tetramethyl-4-(2-(trimethylammonio)ethoxy)-2-butanaminium diiodide
Database identifiers
- CAS
108903-57-7- PubChem CID
- 60273
- DTXSID
DTXSID10910909
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 186 · 186-187.5 °C(Solv: ethanol, 95% (64-17-5))
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Compound notes
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