CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless odorless solid; [Merck Index] |
|---|---|
| Color/Form | Colorless to grey crystalline powder |
| Odor | Odorless |
| Melting Point | 127-148 °C |
| Solubility | In water (mg/L at 20 °C): 81.1 at pH 4; 49.2 at pH 7; 41.8 at pH 9 |
| Density | Bulk density: 1318 kg/cu m (20 °C) |
| Vapor Pressure | 0.00000001 [mmHg] |
| LogP | log Kow = 2.63 (E)-isomer; 2.73 (Z)-isomer (both 20 °C) |
| Stability/Shelf Life | Hydrolytically and thermally stable under normal conditions. Stable for >5 years in the dark. The (E)- and (Z)-isomers are interconverted in sunlight. |
| Collision Cross Section | 201.14 Ų [M+H]+ 206.76 Ų [M+Na]+ |
| Kovats Retention Index | 3080.2 |
| Chemical Classes | Pesticides -> Fungicides |
COMPUTED DESCRIPTORS
| Molecular Weight | 387.9 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 387.1237359 g/mol |
| Monoisotopic Mass | 387.1237359 g/mol |
| Topological Polar Surface Area | 48 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 512 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(Z)-dimethomorph is an enamide resulting from the formal condensation of (2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. The agricultural fungicide dimethomorph is a mixture of (E)- and (Z)-dimethomorph; only the Z isomer has fungicidal activity. It is an aromatic ether, a member of monochlorobenzenes, a morpholine fungicide, a tertiary carboxamide and an enamide.