CAS 2498-27-3 3-Hydroxyphenyltrimethylammonium iodide (HCID 17250)

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Basic information

CAS: 2498-27-3
Standard SMILES: C[N+](C)(C)c1cccc(O)c1.[I-]
InChIKey: KNPHMCQIKGHPRU-UHFFFAOYSA-N
Molecular formula: C9H14INO
Average molar mass: 279.12 g/mol

Names & identifiers

Preferred name: 3-Hydroxyphenyltrimethylammonium iodide
IUPAC: (3-hydroxyphenyl)-trimethylazanium iodide
English name: Trimethyl(3-hydroxyphenyl)ammoniumiodide
Molecular formula: C9H14INO
Molecular weight: 279.11803

Names & synonyms

3-Hydroxyphenyltrimethylammonium IodideRefChem:9114212498-27-33-Hydroxy-N,N,N-trimethylbenzenaminium iodide(3-hydroxyphenyl)-trimethylazanium;iodideCHEMBL37773Neostigmine EP Impurity A Iodide3-(Trimethylammonio)phenol iodidem-(Dimethylamino)phenol methiodide3-Oxyphenyl trimethylammonium iodide(m-Hydroxyphenyl)trimethylammonium iodideBenzenaminium, 3-hydroxy-N,N,N-trimethyl-, iodide

Show more names

Neostigmine Impurity 2Neostigmine impurity ANeostigmine EP Impurity AM-HydroxytriMethylaniliniuM IodideM-Hydroxy-N-triMethylaniliniuM IodideNeostigmine EP Impurity A(Iodized salt)

AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, IODIDEstarbld0014264SCHEMBL29488102KNPHMCQIKGHPRU-UHFFFAOYSA-Nm-hydroxyphenyltrimethylammonium iodidephenol, 3-trimethylammonio-, iodide-Neostigmine Bromide EP Impurity A Iodide3-hydroxy-N,N,N-trimethylanilinium iodide

Database identifiers

CAS: 2498-27-3
PubChem CID: 17250
ChEMBL: CHEMBL37773

Properties

Computed structural properties

Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 128

Physicochemical properties

Melting point: 195 · 195-197 °C(Solv: ethanol (64-17-5))
storage temp.: Refrigerator
solubility: DMSO, Water
form: Solid
color: Gray to Dark Gray
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses3-Hydroxyphenyltrimethylammonium iodide is an acetylcholinesterase inhibitor.

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凯试(上海)科技有限公司021-50135380 · [email protected]

Related reactions

2 records

New reaction record

HRID 491528As reactantuspto-grants-2009_05

HRID 874696As reactantuspto-grants-2015_03

Compound notes

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