91822-41-2 Purity
96%
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Specification
The molecular formula is C11H22N2O4.
The synonyms are CARBAMIC ACID, (3-HYDROXYPROPYL)-, HEXYL ESTER, CARBAMATE and 91824-59-8 Hexyl (3-carbamoyloxypropyl)carbamate DTXSID60238706.
The molecular weight is 246.30 g/mol.
It was created on 2005-08-08 and last modified on 2023-12-30.
The IUPAC name is hexyl N-(3-carbamoyloxypropyl)carbamate.
The InChI is InChI=1S/C11H22N2O4/c1-2-3-4-5-8-17-11(15)13-7-6-9-16-10(12)14/h2-9H2,1H3,(H2,12,14)(H,13,15).
The InChIKey is URPVKVMAPGGPDK-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCOC(=O)NCCCOC(=O)N.
The CAS number is 91824-59-8.
Yes, it is a canonicalized compound.