chempirical

(Iodomethyl)trimethylammonium iodide

C4H11I2NCAS 39741-91-8326.95 g/mol

Open in Covalent MOL file
N+II−
Alkyl halideQuaternary 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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 Trimethyl(2-hydroxyethyl)ammonium 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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