(Iodomethyl)trimethylammonium iodide

C₄H₁₁I₂NCAS 39741-91-8326.95 g/mol

Open in Covalent MOL file

Alkyl halide Quaternary ammonium

Properties

Molecular formula: C₄H₁₁I₂N
Molar mass: 326.95 g/mol
Exact mass: 326.8981 Da
Melting point: 228–229 °C (decomposes)
logP: -1.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed90.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage90.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

39741-91-8

SMILES

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

InChIKey

IFVIWWQMNYZYFQ-UHFFFAOYSA-M

InChI

InChI=1S/C4H11IN.HI/c1-6(2,3)4-5;/h4H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

2 names

Methanaminium, 1-iodo-N,N,N-trimethyl-, iodide (1:1)
Methanaminium, 1-iodo-N,N,N-trimethyl-, iodide

Work with (Iodomethyl)trimethylammonium 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

Similar compounds

(2-Hydroxytrimethylene)bis[trimethylammonium iodide]123-47-743 % similar Decamethylenebis(trimethylammonium) iodide1420-40-243 % similar Choline iodide17773-10-339 % similar Tetramethylammonium iodide75-58-135 % similar Benzyltrimethylammonium iodide4525-46-633 % similar Acetylcholine iodide2260-50-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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