12236-82-7 Purity
96%
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Specification
The molecular formula is C21H36N6O6.
Some synonyms are:
6,6',6''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))trihexanoic acid
Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
6-[[4,6-bis(5-carboxypentylamino)-1,3,5-triazin-2-yl]amino]hexanoic acid
The molecular weight is 468.5 g/mol.
It was created on August 9, 2005.
The IUPAC name is 6-[[4,6-bis(5-carboxypentylamino)-1,3,5-triazin-2-yl]amino]hexanoic acid.
The InChI is 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).
The InChIKey is BKKWPPMEXIXECW-UHFFFAOYSA-N.
The Canonical SMILES is C(CCC(=O)O)CCNC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O.
The CAS number is 80584-91-4.
It can exist as a liquid, solid, or a water or solvent wet solid.