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Reference substance information

IUPAC name:
2-methylpropyl N-(5-isocyanatopentyl)-N-(5-isocyanatopentylcarbamoyl)carbamate
Synonyms
Names:
Allophanate
PDIx2, allophanate

Molecular and structural information

Molecular formula:
C18 H30 N4 O5
Molecular weight:
382.45
SMILES notation:
CC(C)COC(=O)N(CCCCCN=C=O)C(=O)NCCCCCN=C=O
InChl:
InChI=1S/C16H32N2O3/c1-5-7-9-11-17-15(19)18(12-10-8-6-2)16(20)21-13-14(3)4/h14H,5-13H2,1-4H3,(H,17,19)
Structural formula:
Chemical structure