2,2-ジメチル-N-イソプロピル-N-(フェニルメチル)プロパンアミド

Tebutam

HCID 92299

基本情報

CAS: 35256-85-0
標準SMILES: CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C
InChIKey: RJKCKKDSSSRYCB-UHFFFAOYSA-N
分子式: C15H23NO
平均分子量: 233.35 g/mol
単同位体質量: 233.17796436

概要

Tebutam is a monocarboxylic acid amide that is propanamide substituted by a benzyl and an isopropyl group at the nitrogen atom and two methyl groups at position 2. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant.

名称と識別子

優先名称: Tebutam
IUPAC: N-benzyl-2,2-dimethyl-N-propan-2-ylpropanamide
現地名: 2,2-ジメチル-N-イソプロピル-N-(フェニルメチル)プロパンアミド
英語名: TEBUTAM
分子式: C15H23NO
分子量: 233.35

名称と別名

TebutamButam35256-85-0N-Benzyl-N-isopropylpivalamideN-Benzyl-N-isopropyltrimethylacetamideDTXSID5041691Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-43Q5P667CM2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamideDTXCID3021691CHEBI:82043RefChem:1099415

名称をさらに表示

N-ベンジル-N-イソプロピル-2,2-ジメチルプロパンアミド2,2-ジメチル-N-イソプロピル-N-(フェニルメチル)プロパンアミドブタムN-ベンジル-2,2-ジメチル-N-イソプロピルプロピオンアミドテブタムコモドルテブタム標準品テブタム, 100 µg/mL in MethanolN-ベンジル-N-イソプロピルピバルアミドN-ベンジル-2,2-ジメチル-N-(プロパン-2-イル)プロパンアミドCOLZORs-15544COMODORButam(TM)Brn 2838127Einecs 252-470-3

252-470-3TebutameGCP-5544N-benzyl-2,2-dimethyl-N-(propan-2-yl)propanamideN-benzyl-2,2-dimethyl-N-propan-2-ylpropanamideN-Benzyl-N-isopropyl-2,2-dimethylpropionamidePropionamide, N-benzyl-2,2-dimethyl-N-isopropyl-Butam [ANSI]

データベース識別子

CAS: 35256-85-0
PubChem CID: 92299
DTXSID: DTXSID5041691
ChEMBL: CHEMBL3187066
ChEBI: CHEBI:82043
UNII: 43Q5P667CM
EC Number: 252-470-3
Nikkaji: J19.754H

物性

構造計算による物性

XLogP: 3.4
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 246

実験および物理化学的性質

Pesticides · 3 件

Herbicides

Active substance -> EU Pesticides database: Not approved

Pesticide (Tebutam) -> USDA PDB

Collision Cross Section154.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5041691]

物理化学的性質

融点: 25 ℃ · <25℃
沸点: 96 °C · 96 °C
比重(密度): 0.961 · 0.961±0.06 g/cm3(Predicted)
闪点: 80 °C · 80 °C
貯蔵温度: Refrigerator
溶解性: クロロホルム、メタノール
酸解離定数(Pka): -0.5 · -0.50±0.70(Predicted)
色: イエローシック
BRN: 2838127 · 2838127
Henry's Law Constant: 3.8 · 3.8×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
主な用途: 農業環境
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の化学物質情報: Butam (35256-85-0)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (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.

危険有害性情報

Regulatory Information2002/2076

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

安全データ

wgk: 2
rtecs: UE3152000
ridadr: NA 1993 / PGIII
毒性: 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,
hs_code: 29242990
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用Tebutam is used as herbicide and pesticide.

サプライヤー26 社

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海艾梯西生物科技有限公司18721763493

医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]

上海毕楷科技有限公司18516304666

四川库利南科技有限公司400-1166-196 18981987031 · [email protected]

補足説明

定義ChEBI: A monocarboxylic acid amide that is propanamide substituted by a benzyl and an isopropyl group at the nitrogen atom and two methyl groups at position 2. It is an agrochemical used as a herbicide.

化合物ノート

読み込み中…