Ethanaminium, N,N-diethyl-2-hydroxy-N-methyl-, iodide (1:1)
Basic information
- CAS
1112-77-2- Standard SMILES
CC[N+](C)(CC)CCO.[I-]- InChIKey
ZUPIQQDLMLSRIB-UHFFFAOYSA-M- Molecular formula
- C7H18INO
- Average molar mass
- 259.13 g/mol
- Monoisotopic mass
- 259.04331
Names & identifiers
- Preferred name
- Ethanaminium, N,N-diethyl-2-hydroxy-N-methyl-, iodide (1:1)
- IUPAC
- diethyl-(2-hydroxyethyl)-methylazanium iodide
Names & synonyms
Diethylcholine iodide1112-77-2Diethyl(2-hydroxyethyl)methylammonium iodideEthanaminium, N,N-diethyl-2-hydroxy-N-methyl-, iodideE3Q6GT6BJMN,N-Diethyl-2-hydroxy-N-methylethanaminium iodideEthanaminium, N,N-diethyl-2-hydroxy-N-methyl-, iodide (1:1)RefChem:921205Methyldiethyl(2-hydroxyethyl)ammonium iodideN,N-Diethylmethylcholine iodideAmmonium, diethyl(2-hydroxyethyl)methyl-, iodideDTXSID90912042
Show more names
NSC59034NSC 59034NSC-59034(2-Hydroxyethyl)methyldiethylammonium iodide(2-Hydroxyethyl) methyldiethylammonium iodideEthanaminium,N-diethyl-2-hydroxy-N-methyl-, iodideN,N-Diethyl-2-hydroxy-N-methylethan-1-aminium iodide
Database identifiers
- CAS
1112-77-2- PubChem CID
- 200221
- DTXSID
DTXSID90912042- UNII
- E3Q6GT6BJM
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 69.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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