1,3-Diisocyanato-2-methylbenzene;2-(2-hydroxyethoxy)ethanol;oxepan-2-one
1,3-diisocyanato-2-methylbenzene;2-(2-hydroxyethoxy)ethanol;oxepan-2-one
Also Known As: (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3)x-|2-Oxepanone, polymer with 1,3-diisocyanatomethylbenzene and 2,2'-oxybis(ethanol)|2-Oxepanone, polymer with 1,3-diisocyanatomethylbenzene and 2,2'-oxybis[ethanol]|1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one
CAS: 51160-36-2
| Molecular Formula | C19H26N2O7 |
|---|---|
| Molecular Weight | 394.174 g/mol |
| LogP | 2.02082 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.174 |
| Monoisotopic Mass | 394.174 |
| Heavy Atoms | 28 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 51160-36-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)OCC1.C(COCCO)O |
| InChIKey | DSNQQXBSWBNTNX-UHFFFAOYSA-N |
Product Overview
1,3-Diisocyanato-2-methylbenzene;2-(2-hydroxyethoxy)ethanol;oxepan-2-one (CAS 51160-36-2), with molecular formula C19H26N2O7 and molecular weight 394.174 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-(2-hydroxyethoxy)ethanol;oxepan-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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