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Reference substances

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General information

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Reference substance information

IUPAC name:
butyl (6-isocyanatohexyl), carbamate
Synonyms
Names:
n-butyl monocarbamate of HDI

CAS information

CAS number:
13590-54-0

Molecular and structural information

Molecular formula:
C12H22N2O3
Molecular weight:
ca. 242.31
SMILES notation:
O=C(OCCCC)NCCCCCCN=C=O
InChl:
InChI=1S/C12H22N2O3/c1-2-3-10-17-12(16)14-9-7-5-4-6-8-13-11-15/h2-10H2,1H3,(H,14,16)
Structural formula:
Chemical structure