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Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
butyl (6-isocyanatohexyl)((6-isocyanatohexyl)carbamoyl)carbamate
Synonyms
Names:
n-butyl allophanate of HDI

CAS information

CAS number:
215853-93-3

Molecular and structural information

Molecular formula:
C20H34N4O5
Molecular weight:
ca. 410.51
SMILES notation:
O=C=NCCCCCCN(C(OCCCC)=O)C(NCCCCCCN=C=O)=O
InChl:
InChI=1S/C20H34N4O5/c1-2-3-16-29-20(28)24(15-11-7-6-9-13-22-18-26)19(27)23-14-10-5-4-8-12-21-17-25/h2-16H2,1H3,(H,23,27)
Structural formula:
Chemical structure