Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1)
Basic information
- CAS
21480-09-1- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)c1ccccc1C(=O)OCC[N+](CC)(CC)CC.[I-].[I-]- InChIKey
BPZBTNRPFXFUQK-UHFFFAOYSA-L- Molecular formula
- C24H42I2N2O4
- Average molar mass
- 676.4 g/mol
- Monoisotopic mass
- 676.1234
Names & identifiers
- Preferred name
- Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1)
- IUPAC
- triethyl-[2-[2-[2-(triethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium diiodide
Names & synonyms
21480-09-1(2-Hydroxyethyl)triethylammonium iodide phthalate (2:1)AMMONIUM, (2-HYDROXYETHYL)TRIETHYL-, IODIDE, PHTHALATE (2:1)RefChem:318809DTXSID20944078N,N,N-Triethyl-2-[(2-{[2-(triethylazaniumyl)ethoxy]carbonyl}benzoyl)oxy]ethan-1-aminium diiodide
Database identifiers
- CAS
21480-09-1- PubChem CID
- 30654
- DTXSID
DTXSID20944078
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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