Tebutam

HCID 92299

기본 정보

CAS: 35256-85-0
표준 SMILES: CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C
InChIKey: RJKCKKDSSSRYCB-UHFFFAOYSA-N
분자식: C15H23NO
평균 분자량: 233.35 g/mol
단동위원소 질량: 233.17796436

개요

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.

이름 및 식별자

우선 이름: Tebutam
IUPAC: N-benzyl-2,2-dimethyl-N-propan-2-ylpropanamide
영어명: TEBUTAM
분자식: C15H23NO
분자량: 233.35

이름 및 동의어

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

이름 더 보기

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]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 246

실험 및 물리화학적 성질

Pesticides · 3건

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]

물리화학적 성질

녹는점: 25 ℃ · <25℃
끓는 점: 96 °C · 96 °C
밀도: 0.961 · 0.961±0.06 g/cm3(Predicted)
인화점: 80 °C · 80 °C
저장 조건: Refrigerator
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): -0.5 · -0.50±0.70(Predicted)
색상: 노란색
BRN: 2838127 · 2838127
Henry's Law Constant: 3.8 · 3.8×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
주요 응용: 농업환경
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: Butam (35256-85-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information2002/2076

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

안전 데이터

wgk: 2
rtecs: UE3152000
ridadr: NA 1993 / PGIII
독성: 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 번호: 29242990
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Tebutam is used as herbicide and pesticide.

공급사26 곳

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]

추가 설명

정의ChEBI: 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.

화합물 노트

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