Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)

HCID 28534

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 17427-00-8
Standard SMILES: CC(=O)Oc1cccc([N+](C)(C)C)c1.[I-]
InChIKey: TXBGGFAHWDCORU-UHFFFAOYSA-M
Molecular formula: C11H16INO2
Average molar mass: 321.15 g/mol
Monoisotopic mass: 321.02258

Names & identifiers

Preferred name: Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)
IUPAC: (3-acetyloxyphenyl)-trimethylazanium iodide

Names & synonyms

17427-00-8RefChem:1078186Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)3-Acetoxyphenyltrimethylammonium iodideRo 2-2017(m-Hydroxyphenyl)trimethylammonium iodide, acetateAMMONIUM, (3-ACETOXYPHENYL)TRIMETHYL-, IODIDEAmmonium, (m-hydroxyphenyl)trimethyl-, iodide, acetateBenzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodideDTXSID509384853-(Acetyloxy)-N,N,N-trimethylanilinium iodide

Database identifiers

CAS: 17427-00-8
PubChem CID: 28534
DTXSID: DTXSID50938485

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 208

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…