chempirical

Tris(hydroxyethyl) isocyanurate

C9H15N3O6CAS 839-90-7261.23 g/mol

Open in Covalent MOL file
ONOHONOHONHO
Alcohol

Properties

Molecular formula
C9H15N3O6
Molar mass
261.23 g/mol
Exact mass
261.0961 Da
Melting point
135 °C
logP
-3.85Crippen estimate
Polar surface area
126.7 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

Identifiers

CAS number
839-90-7
SMILES
O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO
InChIKey
BPXVHIRIPLPOPT-UHFFFAOYSA-N
InChI
InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2

Weigh it out

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

Names and synonyms

25 names · show all
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-
  • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-
  • s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2-hydroxyethyl)-
  • 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
  • Tris(2-hydroxyethyl) isocyanurate
  • Tris(β-hydroxyethyl) isocyanurate
  • Isocyanuric acid tris(2-hydroxyethyl) ester
  • 1,3,5-Tris(2-hydroxyethyl) isocyanurate
  • N,N′,N′′-Tris(2-hydroxyethyl) isocyanurate
  • THEIC
  • 1,3,5-Tris(2-hydroxyethyl)cyanuric acid
  • NF-SE
  • Tanac
  • NSC 11680
  • THEIC-G
  • 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6-trione
  • Theic P
  • Theic PW
  • Trihydroxyethyl isocyanurate
  • THEIC-A
  • Tris(2-hydroxyethyl)isocyanuric acid
  • Tris(2-hydroxyethyl)isocyanurate
  • 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
  • Tanac P
  • 1,3,5-Tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

Work with Tris(hydroxyethyl) isocyanurate

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

Carbazole-9-ethanol1484-14-639 % similar Tris[3-(trimethoxysilyl)propyl] isocyanurate26115-70-835 % similar Triallyl isocyanurate1025-15-635 % similar Metronidazole443-48-134 % similar Etofylline519-37-933 % similar Tris(2-hydroxyethyl) isocyanurate triacrylate40220-08-432 % similar Triglycidyl isocyanurate2451-62-932 % similar 1,1′,1′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl] tris(3-mercaptopropanoate)36196-44-831 % similar

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

Elsewhere

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