chempirical

Trimethylphenylammonium iodide

C9H14INCAS 98-04-4263.12 g/mol

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

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

Similar compounds

Phenyltrimethylammonium chloride138-24-971 % similar Phenyltrimethylammonium bromide16056-11-471 % similar Trimethylphenylammonium hydroxide1899-02-171 % similar Benzyltrimethylammonium iodide4525-46-644 % similar Methyltriphenylarsonium iodide1499-33-838 % similar Methyltriphenylphosphonium iodide2065-66-938 % similar Tetraphenylphosphonium iodide2065-67-038 % similar 1,1-Dimethyl-4-phenylpiperazinium iodide54-77-338 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook