기본 정보
- CAS
130658-14-9- 표준 SMILES
CC(C)(C)OC(=O)N1C[C@H]2CCC(=O)[C@H]2C1- InChIKey
MZQZNAQWIOWKSR-BDAKNGLRSA-N- 분자식
- C12H19NO3
- 평균 분자량
- 225.28 g/mol
- 단동위원소 질량
- 225.13649347
이름 및 식별자
- 우선 이름
- rel-1,1-Dimethylethyl (3aR,6aS)-hexahydro-4-oxocyclopenta[c]pyrrole-2(1H)-carboxylate
- IUPAC
- tert-butyl (3aR,6aS)-4-oxo-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
- 영어명
- TERT-BUTYL (3AR,6AS)-4-OXOHEXAHYDROCYCLOPENTA[C]PYRROLE-2(1H)-CARBOXYLATE(WX112238)
- 분자식
- C12H19NO3
- 분자량
- 225.28
이름 및 동의어
130658-14-9rel-1,1-Dimethylethyl (3aR,6aS)-hexahydro-4-oxocyclopenta[c]pyrrole-2(1H)-carboxylaterel-1,1-Dimethylethyl (3aR,6aS)-hexahydro-4-oxocyclopenta(c)pyrrole-2(1H)-carboxylateRefChem:3791861351143-94-6tert-butyl rac-(3aR,6aS)-4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylatetert-butyl (3aR,6aS)-4-oxo-octahydrocyclopenta[c]pyrrole-2-carboxylateMFCD22397531Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-tert-butyl (3aR,6aS)-4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylatecis-tert-Butyl 4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate(3aR,6aS)-2-Boc-hexahydrocyclopenta[c]pyrrol-4(2H)-one
이름 더 보기
cis-4-Oxo-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl esterTERT-BUTYL (3AR,6AS)-4-OXOHEXAHYDROCYCLOPENTA[C]PYRROLE-2(1H)-CARBOXYLATE(WX112238)Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester, (3aR,6aS)-
tert-butyl(cis)-4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylaterel-tert-Butyl (3aR,6aS)-4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylatetert-butyl (3aR,6aS)-4-oxo-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylateSCHEMBL43653MZQZNAQWIOWKSR-BDAKNGLRSA-NDTXSID701127662AKOS037647782AS-74765
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 46.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 319
물리화학적 성질
- 끓는 점
- 325.8 · 325.8±25.0 °C(Predicted)
- 밀도
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.87 · -0.87±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
화학 및 산업
공급사6 곳
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
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