Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,3-diphenyl-3-hydroxypropionate

HCID 42275

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 57343-49-4
Standard SMILES: CC[N+](C)(CC)CCOC(=O)CC(O)(c1ccccc1)c1ccccc1.[I-]
InChIKey: SRQHGAOKMTWARZ-UHFFFAOYSA-M
Molecular formula: C22H30INO3
Average molar mass: 483.4 g/mol
Monoisotopic mass: 483.12704

Names & identifiers

Preferred name: Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,3-diphenyl-3-hydroxypropionate
IUPAC: diethyl-[2-(3-hydroxy-3,3-diphenylpropanoyl)oxyethyl]-methylazanium iodide

Names & synonyms

DPE-methyl iodideAmmonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,3-diphenyl-3-hydroxypropionate57343-49-4RefChem:319232DTXSID50972849N,N-Diethyl-2-[(3-hydroxy-3,3-diphenylpropanoyl)oxy]-N-methylethan-1-aminium iodide

Database identifiers

CAS: 57343-49-4
PubChem CID: 42275
DTXSID: DTXSID50972849

Properties

Computed structural properties

Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 27
Formal charge: 0
Complexity: 403

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…