tert-butyl (S)-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylate
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기본 정보
- CAS
2229714-13-8- 표준 SMILES
CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C1=O- InChIKey
PNBFSDKDKJMONJ-FQEVSTJZSA-N- 분자식
- C26H38N4O6
- 평균 분자량
- 502.6 g/mol
- 단동위원소 질량
- 502.27913494
이름 및 식별자
- 우선 이름
- tert-butyl (S)-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
- 영어명
- 2H-Isoindole-2-butanoic acid, γ-(aminocarbonyl)-5-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-1,3-dihydro-1-oxo-, 1,1-dimethylethyl ester, (γS)-
- 분자식
- C26H38N4O6
- 분자량
- 502.61
이름 및 동의어
2229714-13-8tert-butyl (S)-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylateMFCD32857550SCHEMBL20211883SCHEMBL3051796297S7CM24K3tert-Butyl (S)-5-Amino-4-[5-(4-Boc-piperazin-1-yl)-1-oxoisoindolin-2-yl]-5-oxopentanoateSY455207(S)-1-Boc-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine(S)-5-(tert-Butoxy)-2-(5-(4-(tert-butoxycarbonyl)piperazin-1-yl)-1-oxoisoindolin-2-yl)-5-oxopentanimidic acid1,1-Dimethylethyl (gammaS)-gamma-(aminocarbonyl)-5-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-1,3-dihydro-1-oxo-2H-isoindole-2-butanoate2H-Isoindole-2-butanoic acid, gamma-(aminocarbonyl)-5-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-1,3-dihydro-1-oxo-, 1,1-dimethylethyl ester, (gammaS)-
이름 더 보기
(S)-tert-butyl-4-(2-(1-amino-5-tertbutoxy-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylate1,1-Dimethylethyl (γS)-γ-(aminocarbonyl)-5-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-1,3-dihydro-1-oxo-2H-isoindole-2-butanoate
물성
구조 계산 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 840
물리화학적 성질
- 끓는 점
- 703.6 · 703.6±60.0 °C(Predicted)
- 밀도
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.51 · 15.51±0.50(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: tert-butyl(S)-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylate (EC: 881-384-4)
Hazard Classes and CategoriesNot Classified
관련 반응
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