Basic information
- CAS
109042-63-9- Standard SMILES
CC(C)(C[N+](C)(C)C)C(=O)OCC[N+](C)(C)C.[I-].[I-]- InChIKey
AQMJRRJYEWFFGT-UHFFFAOYSA-L- Molecular formula
- C13H30I2N2O2
- Average molar mass
- 500.2 g/mol
- Monoisotopic mass
- 500.03967
Names & identifiers
- Preferred name
- N,N,N,2,2-Pentamethyl-3-oxo-3-(2-(trimethylazaniumyl)ethoxy)propan-1-aminium diiodide
- IUPAC
- [2,2-dimethyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-trimethylazanium diiodide
Names & synonyms
109042-63-9DTXSID60910974N,N,N,2,2-Pentamethyl-3-oxo-3-(2-(trimethylazaniumyl)ethoxy)propan-1-aminium diiodideN,N,N,2,2-Pentamethyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propan-1-aminium diiodideRefChem:1090324DTXCID701340016NIOSH/TX2262000TX226200002-Trimethylammonioethyl 2,2-dimethyl-3-trimethylammoniopropionate diiodide1-Propanaminium, 3-oxo-N,N,N,2,2-pentamethyl-3-(2-(trimethylammonio)ethoxy)-, diiodide3-Oxo-N,N,N,2,2-pentamethyl-3-(2-(trimethylammonio)ethoxy)-1-propanaminium diiodide(2-Carboxy-2-methylpropyl)trimethylammonium iodide ester with choline iodide
Show more names
Ammonium, (2-carboxy-2-methylpropyl)trimethyl-, iodide, ester with choline iodideAQMJRRJYEWFFGT-UHFFFAOYSA-L
Database identifiers
- CAS
109042-63-9- PubChem CID
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…