기본 정보
- CAS
39108-47-9- 표준 SMILES
CCCCn1c(O)c(C#N)c(C)cc1=O- InChIKey
JSCJSXHNBIXPBU-UHFFFAOYSA-N- 분자식
- C11H14N2O2
- 평균 분자량
- 206.24 g/mol
- 단동위원소 질량
- 206.10552769
이름 및 식별자
- 우선 이름
- 3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
- IUPAC
- 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
- 영어명
- 1-butyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-Pyridinecarbonitrile 3-Pyridinecarbonitrile,1-butyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-
- 분자식
- C11H14N2O2
- 분자량
- 206.24
이름 및 동의어
39108-47-93-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrileEINECS 254-296-31-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrileDTXSID5068158RefChem:505124DTXCID2039596254-296-3N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone1-butyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
이름 더 보기
3-Pyridinecarbonitrile, 1-butyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-butyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-Pyridinecarbonitrile 3-Pyridinecarbonitrile,1-butyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-
MFCD002779333-Cyano-4-Methyl-6-Hydroxy-N-Butyl PyridoneMaybridge4_003434Oprea1_2668601-butyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrileN-BUTYL-3-CYANO-4-METHYL-6-HYDROXY-2-PYRIDONE1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrilSCHEMBL623429
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 64.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 385
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile (EC: 254-296-3)
Hazard Classes and CategoriesEye Irrit. 2 (100%)
화학 및 산업
용도 및 제조
General Manufacturing Information3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-: ACTIVE
관련 반응
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