Benalaxyl-M
Grundinformationen
- CAS
98243-83-5- Standard-SMILES
COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C- InChIKey
CJPQIRJHIZUAQP-MRXNPFEDSA-N- Summenformel
- C20H23NO3
- Durchschnittliche Molmasse
- 325,4 g/mol
- Monoisotopische Masse
- 325,1677936
Überblick
Benalaxyl-M is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl. It is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate, a D-alanine derivative, an acylamino acid fungicide and an anilide fungicide. It is an enantiomer of a (S)-benalaxyl.
Namen und Bezeichner
- Bevorzugter Name
- Benalaxyl-M
- IUPAC
- methyl (2R)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
- Englischer Name
- Benalaxyl-M
- Summenformel
- C20H23NO3
- Molmasse
- 325.4
Namen und Synonyme
Benalaxyl-M98243-83-5KiralaxylD-Benalaxyl(-)-R-BenalaxylBenalaxyl-M [ISO]UNII-K2I4VH4B65IR 6141K2I4VH4B65(-)-BENALAXYLBENALAXYL, (-)-DTXSID0058229
Weitere Namen anzeigen
(R)-BenalaxylJingbenshuanglingC10442000 Benalaxyl-MBenalaxyl-M 100 μg/ml Acetonitrile(S)-methyl 2-(N-(2,6-dimethylphenyl)-2-phenylacetamido)proN-(2,6-Dimethylphenyl)-N-(phenylacetyl)-D-alanine methyl ester(R)-Methyl 2-(N-(2,6-diMethylphenyl)-2-phenylacetaMido)propanoate
CHEBI:82779N-(2,6-DIMETHYLPHENYL)-N-(2-PHENYLACETYL)-D-ALANINE METHYL ESTERIR-6141methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninateD-Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl esterRefChem:116942DTXCID3031997619-330-7
Datenbank-Bezeichner
- CAS
98243-83-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 46,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 421
Experimentelle und physikochemische Eigenschaften
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Environmental transformation -> Pesticides (parent, predecessor)
Pesticide (Benalaxyl-M) -> USDA PDB
Physikochemische Eigenschaften
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Henry's Law Constant
- 4.3 · 4.3×103 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- 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
- 3.258 · 3.258 (est)
- EPA chemische Informationen
- D-Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl ester (98243-83-5)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EU) No 188/2011
Benalaxyl-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 CategoriesAquatic Chronic 2 (100%)
Toxikologische Informationen
RAIS Toxicity Values
0.02
OPP
0.0059
OPP
EPA Human Health Benchmarks for Pesticides
Benalaxyl-M
0.02
100
General Population
0.0059
5.01-501
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN3077 9/PG 3
- risk_code
- 51/53
- hazard_code
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
Anwendungen
Verwenden(R)-Benalaxyl is the R-enantiomer of Benalaxyl (B131900) an acylamino acid fungicide.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl.
Zugehörige Reaktionen
1
Notizen zur Verbindung
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