chempirical

1,3,5-Triazine-2,4,6-triaminocaproic acid

C21H36N6O6CAS 80584-91-4468.56 g/mol

Open in Covalent MOL file
OHONHNNOHONHNOOHHN
Carboxylic acid

Properties

Molecular formula
C21H36N6O6
Molar mass
468.56 g/mol
Exact mass
468.2696 Da
Melting point
186–188 °C
logP
1.31Crippen estimate
Polar surface area
196.3 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
18

Identifiers

CAS number
80584-91-4
SMILES
O=C(O)CCCCCN=c1[nH]c(=NCCCCCC(=O)O)[nH]c(=NCCCCCC(=O)O)[nH]1
InChIKey
BKKWPPMEXIXECW-UHFFFAOYSA-N
InChI
InChI=1S/C21H36N6O6/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27)

Weigh it out

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

Names and synonyms

13 names · show all
  • Hexanoic acid, 6,6′,6′′-(1,3,5-triazine-2,4,6-triyltriimino)tris-
  • Hexanoic acid, 6,6′,6′′-(s-triazine-2,4,6-triyltriimino)tri-
  • 6,6′,6′′-(1,3,5-Triazine-2,4,6-triyltriimino)tris[hexanoic acid]
  • 6,6′,6′′-(1,3,5-Triazine-2,4,6-triyltriimino)trihexanoic acid
  • Irgacor L 190
  • Irgacor 190
  • 6,6′,6′′-(1,3,5-Triazine-2,4,6-triyltriimino)tris(hexanoic acid)
  • Belcor 590
  • Irgacor L 190 plus
  • L 190
  • Belcor 593
  • L 190 Plus
  • Irgacor L 190P

Work with 1,3,5-Triazine-2,4,6-triaminocaproic acid

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

Pimelic acid111-16-056 % similar Sebacic acid111-20-656 % similar Pentadecanedioic acid1460-18-056 % similar Heptadecanedioic acid2424-90-056 % similar Eicosanedioic acid2424-92-256 % similar Suberic acid505-48-656 % similar Brassylic acid505-52-256 % similar Thapsic acid505-54-456 % similar

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

Elsewhere

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