chempirical

Tributylmethylphosphonium iodide

C13H30IPCAS 1702-42-7344.26 g/mol

Open in Covalent MOL file
P+I−

Properties

Molecular formula
C13H30IP
Molar mass
344.26 g/mol
Exact mass
344.1130 Da
Melting point
133.5 °C
logP
2.04Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Identifiers

CAS number
1702-42-7
SMILES
CCCC[P+](C)(CCCC)CCCC.[I-]
InChIKey
RLZMYANQLOCZOB-UHFFFAOYSA-M
InChI
InChI=1S/C13H30P.HI/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1

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

Names and synonyms

6 names
  • Phosphonium, tributylmethyl-, iodide (1:1)
  • Phosphonium, tributylmethyl-, iodide
  • Methyltributylphosphonium iodide
  • NSC 41941
  • Hishicolin PX 4MI
  • Methyltri-n-butylphosphonium iodide

Work with Tributylmethylphosphonium 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

Tetrabutylphosphonium iodide3115-66-062 % similar Tetrabutylphosphonium hydroxide14518-69-542 % similar Tetrabutylphosphonium chloride2304-30-542 % similar Tetra-N-butylammonium iodide311-28-442 % similar Tetrabutylphosphonium bromide3115-68-242 % similar Tetrapentylammonium iodide2498-20-640 % similar Tetrahexylammonium iodide2138-24-138 % similar Tetraheptylammonium iodide3535-83-938 % similar

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

Elsewhere

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