기본 정보
- CAS
317335-46-9- 표준 SMILES
C=CCc1cccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O- InChIKey
PECVJESIQKSBTF-UHFFFAOYSA-N- 분자식
- C21H21N3O2
- 평균 분자량
- 347.4 g/mol
이름 및 식별자
- 우선 이름
- 4-{[(1E)-(3-allyl-2-hydroxyphenyl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
- 영어명
- 4-[(3-allyl-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- 분자식
- C21H21N3O2
- 분자량
- 347.41
이름 및 동의어
317335-46-94-{[(1E)-(3-allyl-2-hydroxyphenyl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneOprea1_656646Oprea1_846065STK806469AKOS000597269AKOS005169959AKOS0306619684-[(3-allyl-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneST029607EU-0033614AG-690/09704025
이름 더 보기
3H-Pyrazol-3-one, 1,2-dihydro-4-[[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]amino]-1,5-dimethyl-2-phenyl-
Z57062427(E)-4-((3-allyl-2-hydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one4-({(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one4-[(1E)-2-(2-hydroxy-3-prop-2-enylphenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3- pyrazolin-5-one4-[(E)-{[2-HYDROXY-3-(PROP-2-EN-1-YL)PHENYL]METHYLIDENE}AMINO]-1,5-DIMETHYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-ONE
데이터베이스 식별자
- CAS
317335-46-9
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 56.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 592
물리화학적 성질
- 끓는 점
- 490.4 · 490.4±55.0 °C(Predicted)
- 밀도
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.95 · 6.95±0.40(Predicted)
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…