기본 정보
- CAS
866019-59-2- 표준 SMILES
Cc1cccc(N2CCN(Cc3oc(CO)cc(=O)c3O)CC2)c1C- InChIKey
UIVOODSGJGUJCE-UHFFFAOYSA-N- 분자식
- C19H24N2O4
- 평균 분자량
- 344.4 g/mol
이름 및 식별자
- 우선 이름
- 2-{[4-(2,3-dimethylphenyl)piperazino]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
- IUPAC
- 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
- 영어명
- 2-([4-(2,3-Dimethylphenyl)piperazino]methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
- 분자식
- C19H24N2O4
- 분자량
- 344.4
이름 및 동의어
866019-59-22-{[4-(2,3-dimethylphenyl)piperazino]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one2-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-oneMFCD041254802-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one2-((4-(2,3-Dimethylphenyl)piperazin-1-yl)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-oneSMR000126275MLS000541417CHEMBL1432674HMS2332K14AKOS0050921514X-0231
이름 더 보기
2-([4-(2,3-Dimethylphenyl)piperazino]methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one4H-Pyran-4-one, 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-3-hydroxy-6-(hydroxymethyl)-
SR-01000307267SR-01000307267-1
데이터베이스 식별자
- CAS
866019-59-2
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 73.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 564
물리화학적 성질
- 끓는 점
- 586.4 · 586.4±50.0 °C(Predicted)
- 밀도
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.99 · 6.99±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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