Benzyltrimethylammonium iodide

C₁₀H₁₆INCAS 4525-46-6277.15 g/mol

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Quaternary ammonium

Properties

Molecular formula: C₁₀H₁₆IN
Molar mass: 277.15 g/mol
Exact mass: 277.0327 Da
Melting point: 179 °C
logP: -1.10Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4525-46-6

SMILES

C[N+](C)(C)Cc1ccccc1.[I-]

InChIKey

LRRJQNMXIDXNIM-UHFFFAOYSA-M

InChI

InChI=1S/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1

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

Names and synonyms

5 names

Benzenemethanaminium, N,N,N-trimethyl-, iodide (1:1)
Ammonium, benzyltrimethyl-, iodide
Benzenemethanaminium, N,N,N-trimethyl-, iodide
Benzyldimethylamine methiodide
Trimethylbenzylammonium iodide

Work with Benzyltrimethylammonium 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 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.

Benzyltrimethylammonium hydroxide100-85-6Salt Benzyltrimethylammonium chloride56-93-9Salt Benzyltrimethylammonium bromide5350-41-4Salt Benzyltrimethylammonium dichloroiodate114971-52-7Salt Benzyltrimethylammonium tribromide111865-47-5Salt

Similar compounds

Trimethylphenylammonium iodide98-04-444 % similar Benzyltriethylammonium hydroxide1836-42-642 % similar Benzyltriethylammonium bromide5197-95-542 % similar Benzyl triethylammonium chloride56-37-142 % similar Benzoylcholine iodide17518-43-339 % similar Benzyltripropylammonium chloride5197-87-539 % similar Bibenzyl103-29-739 % similar Ethylbenzene100-41-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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