기본 정보
- CAS
370880-16-3- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@H]2CNC[C@H]21- InChIKey
OIKZNKIPPFFTKA-DTWKUNHWSA-N- 분자식
- C11H20N2O2
- 평균 분자량
- 212.29 g/mol
- 단동위원소 질량
- 212.15247789
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate
- IUPAC
- tert-butyl (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
- 현지명
- (3aS,6aS)-헥사히드로-피롤로[3,4-b]피롤-1-카르복실산tert-부틸에스테르
- 영어명
- (3aS, 6aS)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl ester
- 분자식
- C11H20N2O2
- 분자량
- 212.29
이름 및 동의어
370880-16-31,1-Dimethylethyl (3aS,6aS)-hexahydropyrrolo(3,4-b)pyrrole-1(2H)-carboxylate1,1-Dimethylethyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylateRefChem:213807TERT-BUTYL (3AS,6AS)-HEXAHYDROPYRROLO[3,4-B]PYRROLE-1(2H)-CARBOXYLATE(3aS,6aS)-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylateMFCD18917061tert-butyl (3aS,6aS)-octahydropyrrolo[2,3-c]pyrrole-1-carboxylate(3aS,6aS)-rel-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate(3aS, 6aS)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl estertert-butyl (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate1-BOC-(3AS,6AS)-OCTAHYDROPYRROLO[3,4-B]PYRROLE
이름 더 보기
(3aS,6aS)-헥사히드로-피롤로[3,4-b]피롤-1-카르복실산tert-부틸에스테르(3aS,6aS)-1-Boc-octahydropyrrolo[3,4-b]pyrrole(3aS, 6aS)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboCis-Tert-Butylhexahydropyrrolo[3,4-B]Pyrrole-1(2H)-Carboxylate*tert-butyl rac-(3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylatetert-butyl (3aS,6aS)-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate - [AC78391]Pyrrolo[3,4-b]pyrrole-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (3aS,6aS)-
MFCD12198661cis-1-Boc-octahydropyrrolo[3,4-b]pyrrole(3aR,6aR)-Octahydorb3031712SCHEMBL1135308tert-butyl (3aS,6aS)-rel-octahydropyrrolo[2,3-c]pyrrole-1-carboxylateDTXSID20652404(3aR, 6aR)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl ester
데이터베이스 식별자
- CAS
370880-16-3- PubChem CID
- 29949089
- DTXSID
DTXSID20652404
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 260
물리화학적 성질
- 끓는 점
- 295.4 · 295.4±13.0 °C(Predicted)
- 밀도
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.66 · 10.66±0.20(Predicted)
화학 및 산업
공급사23 곳
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
学研惠(武汉)科技有限公司15727060112 · [email protected]
杰达维(上海)医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
金瓯生物医药(南京)有限公司13000000000 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
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江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海旺珐化工科技有限公司(安徽珐诺伊医药科技有限公司)13918479294 · [email protected]
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