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

CAS Registry Number®

80584-91-4
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CAS Name

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

Molecular Formula

C21H36N6O6

Molecular Mass

468.55

Cite this Page

1,3,5-Triazine-2,4,6-triaminocaproic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=80584-91-4 (retrieved 2024-05-19) (CAS RN: 80584-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186-188 °C

Source(s)

Other Names and Identifiers

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)

InChIKey

InChIKey=BKKWPPMEXIXECW-UHFFFAOYSA-N

SMILES

N(CCCCCC(O)=O)C=1N=C(NCCCCCC(O)=O)N=C(NCCCCCC(O)=O)N1

Canonical SMILES

O=C(O)CCCCCNC=1N=C(N=C(N1)NCCCCCC(=O)O)NCCCCCC(=O)O

Other Names for this Substance

  • 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

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Deleted or Replaced CAS Registry Numbers

109075-25-4

CAS INSIGHTSTM
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