데이터를 보충하는 중입니다. 보통 1분 이내에 완료됩니다
기본 정보
- 표준 SMILES
CC#Cc1cc(C)nc(Nc2ccccc2)n1- InChIKey
CIFWZNRJIBNXRE-UHFFFAOYSA-N- 분자식
- C14H13N3
- 평균 분자량
- 223.279 g/mol
- 단동위원소 질량
- 223.11094742
이름 및 식별자
- 우선 이름
- Mepanipyrim
- IUPAC
- 4-Methyl-N-phenyl-6-(prop-1-yn-1-yl)pyrimidin-2-amine
- 현지명
- 메파니피림
- 영어명
- MEPANIPYRIM
- 분자식
- C14H13N3
- 분자량
- 223.27
이름 및 동의어
메파니피림FRUPICAMEPANIPYRIMMepanioyrimmepanipyrinMepanipyrim 50Mepanipyrim-D5Mepanipyrim [iso]MEPANIPYRIM STANDARDMepanipyrim in AcetonitrileMepanipyrim@100 μg/mL in AcCN
데이터베이스 식별자
- CAS
110235-47-7- PubChem CID
- 86296
- DTXSID
DTXSID4042121- ChEMBL
CHEMBL2269513- ChEBI
CHEBI:6751- UNII
- B150X76OJY
- EC Number
- 432-140-7、600-951-7
- Nikkaji
- J583.868A
물성
물리화학적 성질
- 녹는점
- 125 · 125-126° (Maeno); also reported as 132.8° (Hayashi)
- 끓는 점
- 418.2 · 418.2±47.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 증기압
- 2.32 x · 2.32 x l0-5 Pa (20 °C)
- 인화점
- 131 °C · 131 °C
- 저장 조건
- 0 · 0-6°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 4.5 · 4.5 (est. base)
- 수용성
- 3.1 mg · 3.1mg l-1(20°C)
- 색상
- 흰색에서 황백색까지
- Henry's Law Constant
- 6 · 6.0×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 주요 응용
- 농업환경
- InChI
- 1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
- InChIKey
- CIFWZNRJIBNXRE-UHFFFAOYSA-N
- SMILES
- CC#Cc1cc(C)nc(Nc2ccccc2)n1
- LogP
- 3.28 · 3.280
- EPA
- Mepanipyrim (110235-47-7)
안전 및 규제
안전 데이터
- wgk
- 2
- rtecs
- UV6261540
- ridadr
- UN3077 9/PG 3
- 독성
- LD50 in mice, rats, bobwhite, mallard (mg/kg): >5000, >5000, >2250, >2250 orally; in rats (mg/kg): >2000 dermally; LC50 in bluegill, rainbow trout (mg/l): 3.8, 3.1 (Maeno)
- risk_code
- 51/53-50/53-40
- hazard_code
- N,Xn
- safety_code
- 60-61-46-36/37
- 기존화학 물질
- 97-3-439
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Carc. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Mepanipyrim is an anilinopyrimidine fungicide which have been used in the management of fungal diseases in strawberries.
공급사42 곳
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추가 설명
정의ChEBI: A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying additional methyl and 1-propynyl substituents at positions 4 and 6 respectively. A fungicide used to control a wide range of diseases including grey mou d on strawberries, tomatoes and cucumabers, and scab on apples and pears.
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