Basic information
- CAS
82278-60-2- Standard SMILES
C[N+](C)(C)CCOC(=O)CC[N+](C)(C)C.[I-].[I-]- InChIKey
JYRUXVXCMXZNKO-UHFFFAOYSA-L- Molecular formula
- C11H26I2N2O2
- Average molar mass
- 472.15 g/mol
- Monoisotopic mass
- 472.00837
Names & identifiers
- Preferred name
- Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide
- IUPAC
- trimethyl-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide
- English name
- (2-Carboxyethyl)trimethylammonium iodide ester with choline iodide
- Molecular formula
- C11H26N2O2.2I
- Molecular weight
- 472.138
Names & synonyms
82278-60-2AMMONIUM, (2-CARBOXYETHYL)TRIMETHYL-, IODIDE, ESTER with CHOLINE IODIDERefChem:1076719(2-Carboxyethyl)trimethylammonium iodide ester with choline iodide1-Propanaminium, N,N,N-trimethyl-3-oxo-3-(2-(trimethylammonio)ethoxy)-, diiodideNIOSH/TX2266000DTXSID101002587TX226600002-Trimethylammonioethyl 3-trimethylammoniopropionate diiodideCholine, iodide, ester with (2-carboxyethyl)trimethylammonium iodide1-Propanaminium, 3-oxo-N,N,N-trimethyl-3-(2-(trimethylammonio)ethoxy)-, diiodide3-Oxo-N,N,N-trimethyl-3-(2-(trimethylammonio)ethoxy)-1-propanaminium diiodide
Show more names
N,N,N-Trimethyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propan-1-aminium diiodide
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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