Ammonium, (2-chloroethyl)dimethyl(2-hydroxyethyl)-, iodide, acetate (ester)
Basic information
- CAS
40066-93-1- Standard SMILES
CC(=O)OCC[N+](C)(C)CCCl.[I-]- InChIKey
ZWVUNFIFTPYJRS-UHFFFAOYSA-M- Molecular formula
- C8H17ClINO2
- Average molar mass
- 321.58 g/mol
- Monoisotopic mass
- 320.99925
Names & identifiers
- Preferred name
- Ammonium, (2-chloroethyl)dimethyl(2-hydroxyethyl)-, iodide, acetate (ester)
- IUPAC
- 2-acetyloxyethyl-(2-chloroethyl)-dimethylazanium iodide
Names & synonyms
40066-93-1AMMONIUM, (2-CHLOROETHYL)DIMETHYL(2-HYDROXYETHYL)-, IODIDE, ACETATE (ester)RefChem:1076723(2-Chloroethyl)dimethyl(2-hydroxyethyl)ammonium iodide acetateMethyl-beta-acetoxyethyl-beta-chloroethylamine quaternary methiodideEthanaminium, 2-(acetyloxy)-N-(2-chloroethyl)-N,N-dimethyl-, iodideDTXSID509605242-(Acetyloxy)-N-(2-chloroethyl)-N,N-dimethylethan-1-aminium iodide
Database identifiers
- CAS
40066-93-1- PubChem CID
- 38382
- DTXSID
DTXSID50960524
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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