기본 정보
- CAS
1119512-39-8- 표준 SMILES
CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O- InChIKey
GYEQQDCMLKKYGG-UHFFFAOYSA-N- 분자식
- C11H17NO4
- 평균 분자량
- 227.26 g/mol
- 단동위원소 질량
- 227.11575802
이름 및 식별자
- 우선 이름
- 3-((Tert-butoxy)carbonyl)-3-azabicyclo(3.1.0)hexane-6-carboxylic acid
- IUPAC
- 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
- 현지명
- 3-아자비시클로[3.1.0]헥산-3,6-디카르복실산3-tert-부틸에스테르
- 영어명
- 3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester
- 분자식
- C11H17NO4
- 분자량
- 227.26
이름 및 동의어
3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid3-((Tert-butoxy)carbonyl)-3-azabicyclo(3.1.0)hexane-6-carboxylic acidRefChem:488959867-257-61119512-39-83-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid3-AZABICYCLO[3.1.0]HEXANE-3,6-DICARBOXYLIC ACID 3-TERT-BUTYL ESTER3-tert-Butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acidMFCD111095563-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid3-Boc-3-azabicyclo[3.1.0]hexane-6-carboxylic acid(1S,5R)-3-TERT-BUTOXYCARBONYL-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID
이름 더 보기
3-아자비시클로[3.1.0]헥산-3,6-디카르복실산3-tert-부틸에스테르3-Aza-bicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl es3-tert-butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid - [A6573]3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid, 3-(1,1-diMethylethyl) ester
(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid(1R,5S,6s)-3-Boc-3-azabicyclo[3.1.0]hexane-6-carboxylic Acidexo-3-Boc-3-Azabicyclo[3.1.0]hexane-6-carboxylic acid racemateSCHEMBL16241474DTXSID60694101GYEQQDCMLKKYGG-UHFFFAOYSA-N3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylicacidAKOS016005894
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 321
물리화학적 성질
- 끓는 점
- 356 ℃ · 356℃
- 밀도
- 1.276 · 1.276
- 인화점
- 169 ℃ · 169℃
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 4.56 · 4.56±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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
공급사39 곳
上海鹏鹊化学科技有限公司15317013857 15901926503 · [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]
天津艾诺医药科技有限公司13269213627 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
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