기본 정보
- CAS
40512-57-0- 표준 SMILES
CC(C)(C)OC(=O)NC(C(=O)O)c1ccsc1- InChIKey
VJYLMXXKPBZDHN-UHFFFAOYSA-N- 분자식
- C11H15NO4S
- 평균 분자량
- 257.31 g/mol
- 단동위원소 질량
- 257.07217913
이름 및 식별자
- 우선 이름
- alpha-(((1,1-Dimethylethoxy)carbonyl)amino)-3-thiopheneacetic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylacetic acid
- 현지명
- N-BOC-아미노-(3-티에닐)아세트산
- 영어명
- N-BOC-AMINO-(3-THIENYL)ACETIC ACID
- 분자식
- C11H15NO4S
- 분자량
- 257.31
이름 및 동의어
40512-57-0alpha-(((1,1-Dimethylethoxy)carbonyl)amino)-3-thiopheneacetic acidalpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-thiopheneacetic acidRefChem:3181562-(BOC-AMINO)-2-(3-THIOPHENYL)ACETIC ACIDN-BOC-Amino-(3-thienyl)acetic acidMFCD02683176Boc-(R)-3-Thienylglycine2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylacetic acidBoc-D-(3-thienyl)glycineBoc-L-(3-thienyl)glycine2-((tert-Butoxycarbonyl)amino)-2-(thiophen-3-yl)acetic acid
이름 더 보기
N-BOC-아미노-(3-티에닐)아세트산N-BOC-Amino-(3-thienyl)acetic acid,95%N-(TERT-BUTOXYCARBONYL)-AMINO-(3-THIENYL)ACETIC ACIDα-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-thiopheneacetic acid3-Thiopheneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-
a-(Boc-amino)3-thiopheneacetic acidSCHEMBL1105000DTXSID80370374TERT-BUTOXYCARBONYLAMINO-THIOPHEN-3-YL-ACETIC ACIDVJYLMXXKPBZDHN-UHFFFAOYSA-N[(TERT-BUTOXYCARBONYL)AMINO](THIOPHEN-3-YL)ACETIC ACIDQBA51257AKOS013465801
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 300
물리화학적 성질
- 끓는 점
- 425.2 · 425.2±40.0 °C(Predicted)
- 밀도
- 1.3137 · 1.3137 (rough estimate)
- 굴절률
- 1.55 · 1.5500 (estimate)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 산도 계수 (pKa)
- 3.46 · 3.46±0.10(Predicted)
화학적 성질
white to off-white powder
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]
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%)
안전 데이터
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
화학 및 산업
공급사12 곳
韶远科技（上海）有限公司4000665055 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [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]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
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