Trimethylphenylammonium iodide

C₉H₁₄INCAS 98-04-4263.12 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₉H₁₄IN
Molar mass: 263.12 g/mol
Exact mass: 263.0171 Da
Melting point: 224 °C
Boiling point: 212 °C
logP: -1.11Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H311 Toxic in contact with skin11.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98-04-4

SMILES

C[N+](C)(C)c1ccccc1.[I-]

InChIKey

KKLAORVGAKUOPZ-UHFFFAOYSA-M

InChI

InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Benzenaminium, N,N,N-trimethyl-, iodide (1:1)
Ammonium, trimethylphenyl-, iodide
Benzenaminium, N,N,N-trimethyl-, iodide
Phenyltrimethylammonium iodide
PHT
N,N,N-Trimethylanilinium iodide
Trimethylanilinium iodide
N,N-Dimethylaniline methiodide
N,N,N-Trimethylaniline iodide

Work with Trimethylphenylammonium iodide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Trimethylphenylammonium tribromide4207-56-1Salt Trimethylphenylammonium hydroxide1899-02-1Salt Phenyltrimethylammonium chloride138-24-9Salt Phenyltrimethylammonium bromide16056-11-4Salt

Similar compounds

3-(Trifluoromethyl)phenyltrimethylammonium iodide27389-57-748 % similar Benzyltrimethylammonium iodide4525-46-644 % similar Methyltriphenylarsonium iodide1499-33-838 % similar Methyltriphenylphosphonium iodide2065-66-938 % similar Tetraphenylphosphonium iodide2065-67-038 % similar Diphenyliodonium iodide2217-79-038 % similar 1,1-Dimethyl-4-phenylpiperazinium iodide54-77-338 % similar 3-(Trifluoromethyl)phenyltrimethylammonium hydroxide68254-41-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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