기본 정보
- CAS
51077-16-8- 표준 SMILES
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)O- InChIKey
FJWNZTPXVSWUKF-LURJTMIESA-N- 분자식
- C9H15NO4S
- 평균 분자량
- 233.29 g/mol
- 단동위원소 질량
- 233.07217913
이름 및 식별자
- 우선 이름
- (4R)-3-[(tert-butoxy)carbonyl]-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
- 영어명
- Boc-L-thiazolidine-4-carboxylic acid
- 분자식
- C9H15NO4S
- 분자량
- 233.29
이름 및 동의어
(4R)-3-[(tert-butoxy)carbonyl]-1,3-thiazolidine-4-carboxylic acid(4R)-3-((tert-butoxy)carbonyl)-1,3-thiazolidine-4-carboxylic acidRefChem:403238876-100-051077-16-8Boc-Thz-OH(4R)-3-(tert-Butoxycarbonyl)-1,3-thiazolane-4-carboxylic acidMFCD00077002(r)-3-(tert-butoxycarbonyl)thiazolidine-4-carboxylic acid(-)-Boc-L-thioproline(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid(4R)-3-(tert-butoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
이름 더 보기
BOC-THCBOC-THI-OHBoc-L-THC-OHBoc-L-Thi-OHBOC-L-THZ-OHBOC-L-THIOPRO-OHBoc-4-Thio-Pro-OHBOC-L-THIOPROLINE
boc-thioprolinen-boc-thioprolineBoc-Thiopro-OHAO-710/25079001SCHEMBL1022969DTXSID60350896(4R)-3-(tert-Butyloxycarbonyl)thiazolidine-4-carboxylic acidCCG-42064
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 92.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 274
물리화학적 성질
- 녹는점
- 125 · 125-131 °C
- 끓는 점
- 385.3 · 385.3±42.0 °C(Predicted)
- 밀도
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 3.53 · 3.53±0.20(Predicted)
- 수용성
- 물에 불용성.
- BRN
- 6686084 · 6686084
화학적 성질
White crystal
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 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
안전 데이터
- wgk
- 3
- HS 번호
- 29341000
- hazard_code
- Xi
- safety_code
- 22-24/25
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도N-Boc-(R)-(-)-thiazolidine-4-carboxylic acid is used as pharmaceutical intermediates.
공급사87 곳
北京华美互利生物化工010-56205725 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
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