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기본 정보
- CAS
873075-58-2- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)O)s2)CC1- InChIKey
YWFZFWKWBKOXFI-UHFFFAOYSA-N- 분자식
- C13H19N3O4S
- 평균 분자량
- 313.37 g/mol
- 단동위원소 질량
- 313.10962727
이름 및 식별자
- 우선 이름
- 2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}-1,3-thiazole-5-carboxylic acid
- IUPAC
- 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
- 영어명
- 1-Piperazinecarboxylic acid, 4-(5-carboxy-2-thiazolyl)-, 1-(1,1-dimethylethyl) ester
- 분자식
- C13H19N3O4S
- 분자량
- 313.37
이름 및 동의어
873075-58-22-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-1,3-thiazole-5-carboxylic acid2-(4-((tert-butoxy)carbonyl)piperazin-1-yl)-1,3-thiazole-5-carboxylic acidRefChem:456154985-014-3tert-butyl 4-(5-carboxythiazol-2-yl)piperazine-1-carboxylate2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acidSCHEMBL2146303YWFZFWKWBKOXFI-UHFFFAOYSA-N2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-1,3-thiazole-5-carboxylicacidEN300-56373Z854233900
이름 더 보기
2-(4-Boc-1-piperazinyl)-5-thiazolecarboxylic acid2-{4-[(tert-Butoxy)carbonyl]piperazin-1-yl}-thiazol-5-carboxylic acid1-Piperazinecarboxylic acid, 4-(5-carboxy-2-thiazolyl)-, 1-(1,1-dimethylethyl) ester2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-1,3-thiazole-5-carboxylic acid2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-1,3-thiazole-5-carboxylic acid
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)thiazole-5-carboxylic acid1-(1,1-dimethylethyl) 4-(5-carboxy-2-thiazolyl)-1-piperazine-carboxylate1-(1,1-Dimethylethyl) 4-(5-carboxy-2-thiazolyl)-1-piperazinecarboxylate
물성
구조 계산 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 405
물리화학적 성질
- 끓는 점
- 486.1 · 486.1±55.0 °C(Predicted)
- 밀도
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.4 · 2.40±0.10(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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
화학 및 산업
공급사3 곳
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
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