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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,3,5-tris(5-isocyanatopentyl)-1,3,5-triazinane-2,4,6-trione

Inventory

CAS number:
119934-71-3
Synonyms
Names:
(2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(pentamethylene) isocyanate
1,3,5-Tris(5-isocyanatopentyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (ACI)
1,​3,​5-​Triazine-​2,​4,​6(1H,​3H,​5H)​-​trione, 1,​3,​5-​tris(5-​isocyanatopentyl)​-
1,​5-​Pentamethylene diisocyanate isocyanurate
Isocyanurate (PDIx3)
Isocyanurate-based 1,5-pentamethylene diisocyanate trimer
PDI isocyanurate trimer
PDI oligomer, isocyanurate
PDI trimer
Pentamethylene diisocyanate isocyanurate
Pentamethylene diisocyanate isocyanurate trimer
monoisocyanurate

Molecular and structural information

Molecular formula:
C21 H30 N6 O6
Molecular weight:
462.5
SMILES notation:
O=C=NCCCCCN1C(=O)N(CCCCCN=C=O)C(=O)N(CCCCCN=C=O)C1=O

InChl:
InChI=1S/C21H30N6O6/c28-16-22-10-4-1-7-13-25-19(31)26(14-8-2-5-11-23-17-29)21(33)27(20(25)32)15-9-3-6-12-24-18-30/h1-15H2
Structural formula:
Chemical structure

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