AC1L580M
azepan-2-one;ethane-1,2-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-|2-Oxohexamethyleneimine, isophorone diisocyanate, ethylene glycol polymer|2H-Azepin-2-one, hexahydro-, polymer with 1,2-ethanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|2H-AZEPIN-2-ONE, HEXAHYDRO-, POLYMER WITH 1,2-ETHANEDIOL AND 5-ISOCYANATO-1-(ISOCYANATOMETHYL) -1,3,3-TRIMETHYLCYCLOHEXANE|azepan-2-one; ethane-1,2-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane|azepan-2-one; ethane-1,2-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
| Molecular Formula | C20H35N3O5 |
|---|---|
| Molecular Weight | 397.25766 g/mol |
| LogP | 1.8906 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.25766 |
| Monoisotopic Mass | 397.25766 |
| Heavy Atoms | 28 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 65895-85-4 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)NCC1.C(CO)O |
| InChIKey | MOJFYQYKLBVTCZ-UHFFFAOYSA-N |
Product Overview
AC1L580M (CAS 65895-85-4), with molecular formula C20H35N3O5 and molecular weight 397.25766 g/mol. IUPAC: azepan-2-one;ethane-1,2-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
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