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기본 정보
- CAS
186393-22-6- 표준 SMILES
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)C1- InChIKey
MAXQBMZDVBHSLW-KNVOCYPGSA-N- 분자식
- C9H17NO4
- 평균 분자량
- 203.24 g/mol
- 단동위원소 질량
- 203.11575802
이름 및 식별자
- 우선 이름
- Compound 10
- IUPAC
- tert-butyl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
- 현지명
- (3R,4S)-tert-부틸3,4-디히드록시피롤리딘-1-카르복실레이트
- 영어명
- (3R,4S)-tert-butyl 3,4-dihydroxypyrrolidine-1-carboxylate
- 분자식
- C9H17NO4
- 분자량
- 203.24
이름 및 동의어
186393-22-6RefChem:578577683-394-2Compound 10(3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylatetert-butyl (3R,4S)-3,4-dihydroxypyrrolidine-1-carboxylaterel-(3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylateMFCD219190472856018-37-4tert-butyl cis-3,4-dihydroxypyrrolidine-1-carboxylatecis-tert-butyl 3,4-dihydroxypyrrolidine-1-carboxylatetert-butyl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
이름 더 보기
(3R,4S)-tert-부틸3,4-디히드록시피롤리딘-1-카르복실레이트cis-1-Boc-3,4-dihydroxypyrrolidinetert-butyl-cis-3,4-dihydroxypyrrolidine-1-carboxylate3,4-Dihydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester, (3R,4S)-rel-
SCHEMBL666524MAXQBMZDVBHSLW-KNVOCYPGSA-NCS-B1567CS2184(3R,4S)-1-Boc-dihydroxypyrrolidineAKOS017957537DS-7320AC-31615
물성
구조 계산 물성보충 중
- XLogP
- -0.4
- 극성 표면적
- 70 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 213
물리화학적 성질
- 끓는 점
- 300.6 · 300.6±42.0 °C(Predicted)
- 밀도
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 13.91 · 13.91±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 29339900
화학 및 산업
응용 분야
용도(3R,4S)-tert-butyl 3,4-dihydroxypyrrolidine-1-carboxylate is a heterocyclic derivative and can be used as a pharmaceutical intermediate.
공급사53 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
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