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Benalaxyl-M
Benalaxyl-M · (R)-Benalaxyl · Benalaxyl-m [iso] · Jingbenshuangling · C10442000 Benalaxyl-M · Benalaxyl-M 100 μg/ml Acetonitrile · (S)-methyl 2-(N-(2,6-dimethylphenyl)-2-phenylacetamido)pro · methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate
Identifikatoren & physikalische Daten
| CAS No. | 98243-83-5 |
|---|---|
| Summenformel | C20H23NO3 |
| Durchschnittliche Molmasse | 325,4 g/mol |
| Monoisotopische Masse | 325,1677936 g/mol |
| SMILES | COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C |
| InChIKey | CJPQIRJHIZUAQP-MRXNPFEDSA-N |
| PubChem CID | 176648 |
| ChEBI | CHEBI:82779 |
| EC No. | 619-330-7 |
| DTXSID | DTXSID0058229 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 421 |
| Pestizide | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticides (parent, predecessor)Pesticide (Benalaxyl-M) -> USDA PDB |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Henry-Konstante | 4.3×103 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1 |
| InChIKey | CJPQIRJHIZUAQP-MRXNPFEDSA-N |
| SMILES | C(OC)(=O)[C@@H](C)N(C1=C(C)C=CC=C1C)C(CC1=CC=CC=C1)=O |
| LogP (Verteilungskoeffizient) | 3.258 (est) |
| EPA chemische Informationen | D-Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl ester (98243-83-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EU) No 188/2011Benalaxyl-M is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Dossier complete 03/35/EC, Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2025/99, Reg. (EU) No 1175/2013 |
| Hazard Classes and Categories | Aquatic Chronic 2 (100%) |
| RAIS Toxicity Values | 0.02OPP0.0059 |
| EPA Human Health Benchmarks for Pesticides | Benalaxyl-M0.02100General Population0.00595.01-501 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN3077 9/PG 3 |
| R-Sätze (R) | 51/53 |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 2 |
Anwendungen & Verwendung
Verwenden
(R)-Benalaxyl is the R-enantiomer of Benalaxyl (B131900) an acylamino acid fungicide.