Picarbutrazox
기본 정보
- CAS
500207-04-5- 표준 SMILES
Cn1nnnc1/C(=N\OCc1cccc(NC(=O)OC(C)(C)C)n1)c1ccccc1- InChIKey
URHWNXDZOULUHC-ULJHMMPZSA-N- 분자식
- C20H23N7O3
- 평균 분자량
- 409.4 g/mol
- 단동위원소 질량
- 409.18623762
개요
Picarbutrazox is an oxime O-ether that is the (Z)-oxime derivative of 1-methyl-1H-tetrazol-5-yl phenyl ketone in which the hydrogen of the hydroxy group has been replaced by the N-tert-butoxycarbonyl derivative of a [6-(Boc-amino)pyridin-2-yl]methyl group. It is a novel fungicide developed for use on cereals. It has a role as an antifungal agrochemical. It is a carbamate ester, a member of pyridines, a member of tetrazoles, an oxime O-ether and a carbamate fungicide.
이름 및 식별자
- 우선 이름
- Picarbutrazox
- IUPAC
- tert-butyl N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
- 영어명
- picarbutrazox
- 분자식
- C20H23N7O3
- 분자량
- 409.44
이름 및 동의어
Picarbutrazox500207-04-5D5ZAQ41GWYCHEBI:85627DTXSID408958361,1-Dimethylethyl N-(6-((((Z)-((1-methyl-1H-tetrazol-5-yl)phenylmethylene)amino)oxy)methyl)-2-pyridinyl)carbamate1,1-dimethylethyl N-[6-[[[(Z)-[(1-methyl-1H-tetrazol-5-yl)phenylmethylene]amino]oxy]methyl]-2-pyridinyl]carbamateRefChem:174131DTXCID201325340Picarbutrazox [ISO]UNII-D5ZAQ41GWYtert-Butyl (Z)-(6-(((((1-methyl-1H-tetrazol-5-yl)(phenyl)methylene)amino)oxy)methyl)pyridin-2-yl)carbamate
이름 더 보기
Picarbutrazox 100 μg/mL in Acetonitriletert-butyl N-[6-({[(Z)-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)(phenyl)methylidene]amino]oxy}methyl)pyridin-2-yl]carbamateCarbamic acid, N-[6-[[[(Z)-[(1-methyl-1H-tetrazol-5-yl)phenylmethylene]amino]oxy]methyl]-2-pyridinyl]-, 1,1-dimethylethyl ester
tert-butyl N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-yl]carbamateorb1982708SCHEMBL10132068SCHEMBL29355192MSK21441MFCD32655083DA-56852SY510358
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 589
물리화학적 성질
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.4 · 12.40±0.70(Predicted)
- LogP
- 1.996 · 1.996±0.61(25C)
- EPA
- 6 · Carbamic acid, N-[6-[[[[(1Z)-(1-methyl-1H-tetrazol-5-yl)phenylmethylene]amino]oxy]methyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (500207-04-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (36.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P203, P260, P264+P265, P273, P280, P305+P351+P338, P318, P319, P337+P317, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (36.4%)
안전 데이터
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H411
관련 반응
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