chempirical

(2-Hydroxytrimethylene)bis[trimethylammonium iodide]

C9H24I2N2OCAS 123-47-7430.11 g/mol

Open in Covalent MOL file
N+OHN+I−I−
AlcoholQuaternary ammonium

Properties

Molecular formula
C9H24I2N2O
Molar mass
430.11 g/mol
Exact mass
429.9978 Da
Melting point
275 °C (decomposes)
logP
-6.23Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
123-47-7
SMILES
C[N+](C)(C)CC(O)C[N+](C)(C)C.[I-].[I-]
InChIKey
UOZDOLIXBYLRAC-UHFFFAOYSA-L
InChI
InChI=1S/C9H24N2O.2HI/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2

Weigh it out

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

Names and synonyms

22 names · show all
  • 1,3-Propanediaminium, 2-hydroxy-N1,N1,N1,N3,N3,N3-hexamethyl-, iodide (1:2)
  • Ammonium, (2-hydroxytrimethylene)bis[trimethyl-, diiodide
  • 1,3-Propanediaminium, 2-hydroxy-N,N,N,N′,N′,N′-hexamethyl-, diiodide
  • Endoiodin
  • Endoiodine
  • Endoyodina
  • Entodon
  • Esoiodine
  • Hexayodina
  • Iodisan
  • Prolonium iodide
  • Propiodal
  • Yodanodia
  • Intraiodine
  • Endojodin
  • Yodorgan
  • Iodo-fluothymina
  • Iodoxil
  • Espectona-gotas
  • Soluyodina
  • Intrajodin
  • 2-Hydroxy-N,N,N,N′,N′,N′-hexamethyl-1,3-propane diaminium diiodide

Work with (2-Hydroxytrimethylene)bis[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

(3-Chloro-2-hydroxypropyl)trimethylammonium chloride3327-22-852 % similar (±)-Carnitine461-06-347 % similar (+)-Carnitine541-14-047 % similar (-)-Carnitine541-15-147 % similar (Iodomethyl)trimethylammonium iodide39741-91-843 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-442 % similar Carnitine chloride461-05-242 % similar L-(-)-Carnitine hydrochloride6645-46-142 % similar

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

Elsewhere

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