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N-Benzyl-N-isopropyl-2,2-dimethylpropionamid
BUTAM · COLZOR · s-15544 · COMODOR · TEBUTAM · gcp-5544 · Butam(TM) · Brn 2838127
Identifikatoren & physikalische Daten
| CAS No. | 35256-85-0 |
|---|---|
| Summenformel | C15H23NO |
| Durchschnittliche Molmasse | 233,35 g/mol |
| Monoisotopische Masse | 233,17796436 g/mol |
| SMILES | CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C |
| InChIKey | RJKCKKDSSSRYCB-UHFFFAOYSA-N |
| PubChem CID | 92299 |
| ChEMBL | CHEMBL3187066 |
| ChEBI | CHEBI:82043 |
| EC No. | 252-470-3 |
| DTXSID | DTXSID5041691 |
| Lokaler Name | N-Benzyl-N-isopropyl-2,2-dimethylpropionamid |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 246 |
| Pestizide | HerbicidesActive substance -> EU Pesticides database: Not approvedPesticide (Tebutam) -> USDA PDB |
| Collision Cross Section | 154.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5041691] |
| Schmelzpunkt | <25℃ |
| Siedepunkt | 96 °C |
| Dichte | 0.961±0.06 g/cm3(Predicted) |
| Flammpunkt | 80 °C |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, Methanol |
| pKa (Säurekonstante) | -0.50±0.70(Predicted) |
| Farbe | Yellow |
| BRN | 2838127 |
| Henry-Konstante | 3.8×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 |
| InChIKey | RJKCKKDSSSRYCB-UHFFFAOYSA-N |
| SMILES | CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C |
| EPA chemische Informationen | Butam (35256-85-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 2002/2076 |
| Hazard Classes and Categories | Flam. Liq. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29242990 |
| RTECS-Nr. | UE3152000 |
| Toxizität | guinea pig,LD50,oral,2025mg/kg (2025mg/kg),"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A444, Pg. 1985, |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Tebutam is used as herbicide and pesticide.