AC1L598V
azepan-2-one;1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane;propane-1,2,3-triol
Also Known As: 1,2,3-Propanetriol, polymer with 1,3-diisocyanatomethylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, methyloxirane and oxirane, caprolactam-blocked|(C9-H6-N2-O2.C6-H14-O3.C6-H11-N-O.C3-H8-O3.C3-H6-O.C2-H4-O)x-|1,2,3-Propanetriol, polymer with 1,3-diisocyanatomethylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 2-methyloxirane and oxirane, caprolactam-blocked|azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; propane-1,2,3-triol|azepan-2-one; 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; propane-1,2,3-triol|Trimethylolpropane, propylene oxide, ethylene oxide, 2,4-toluene diisocyanate, glycerin, epsilon-caprolactam blocked polymer
| Molecular Formula | C29H49N3O11 |
|---|---|
| Molecular Weight | 615.33673 g/mol |
| LogP | 0.71952 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 615.33673 |
| Monoisotopic Mass | 615.33673 |
| Heavy Atoms | 43 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 70892-40-9 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)NCC1.C1CO1.C(C(CO)O)O |
| InChIKey | WQRYFJWEQFTWMM-UHFFFAOYSA-N |
Product Overview
AC1L598V (CAS 70892-40-9), with molecular formula C29H49N3O11 and molecular weight 615.33673 g/mol. IUPAC: azepan-2-one;1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane;propane-1,2,3-triol.