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Reference substances

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General information

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Reference substance information

IUPAC name:
1,3,5-tris(5-isocyanatopentyl)-1,3,5-triazinane-2,4,6-trione
Synonyms
Names:
(2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(pentamethylene) isocyanate
1,​5-​Pentamethylene diisocyanate isocyanurate
Isocyanurate (PDIx3)
monoisocyanurate

CAS information

CAS number:
119934-71-3

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