57837-19-1
Product Name:
Metalaxyl
Formula:
C15H21NO4
Synonyms:
N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-DL -alanine methyl ester
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Whitish solid; [Merck Index] |
|---|---|
| Color/Form | Fine, white powder |
| Boiling Point | 295.9 °C @ 760 mm Hg |
| Melting Point | 71-72 °C |
| Solubility | In ethanol 400, acetone 450, toluene 340, n-hexane 11, n-octanol 68 (all g/l at 25 °C) |
| Density | 1.20 @ 20 °C |
| Vapor Density | 1.2 |
| Vapor Pressure | 0.0000022 [mmHg] |
| LogP | log Kow = 1.65 |
| Decomposition | When heated to decomposition it emits toxic fumes of nitric oxides. |
| Dissociation Constants | Much less than 0 |
| Collision Cross Section | 159.96 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 1874.8 1882.9 1883 1891.4 1883.8 |
| Other Experimental Properties | MP = 63.5-72.3 °C /Technical/ |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 279.33 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 279.14705815 g/mol |
| Monoisotopic Mass | 279.14705815 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 335 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate is an alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group. It is an alanine derivative, an aromatic amide, a carboxamide, an ether and a methyl ester.
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