기본 정보
- CAS
863304-76-1- 표준 SMILES
CC(C)(C)OC(=O)NC12CCC(C(=O)O)(CC1)CC2- InChIKey
PIRWVWMHESZXMT-UHFFFAOYSA-N- 분자식
- C14H23NO4
- 평균 분자량
- 269.34 g/mol
- 단동위원소 질량
- 269.16270822
이름 및 식별자
- 우선 이름
- 4-{[(Tert-butoxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylic acid
- IUPAC
- 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.2]octane-1-carboxylic acid
- 현지명
- 4-(TERT-BUTOXYCARBONYLAMINO)BICYCLO[2.2.2]옥탄-1-카르복실산
- 영어명
- 4-(TERT-BUTOXYCARBONYLAMINO)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
- 분자식
- C14H23NO4
- 분자량
- 269.34
이름 및 동의어
4-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylic acid4-(((tert-butoxy)carbonyl)amino)bicyclo(2.2.2)octane-1-carboxylic acidRefChem:508730870-728-9863304-76-14-((tert-Butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylic acidMFCD225777894-(Boc-amino)bicyclo[2.2.2]octane-1-carboxylic acid4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.2]octane-1-carboxylic acid4-(tert-butoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylic acid4-((tert-Butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylicacid4-[(tert-Butoxycarbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
이름 더 보기
4-(TERT-BUTOXYCARBONYLAMINO)BICYCLO[2.2.2]옥탄-1-카르복실산4-BocNH-Bicyclo[2.2.2]octane-COOHN-Boc-4-aminobicyclo[2.2.2]octane-1-carboxylic acid4-?((tert-?Butoxycarbonyl)?ami)?bicyclo[2.2.2]?octane-?1-?carboxylic acid4-[[(1,1-Dimethylethoxy)carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 372
물리화학적 성질
- 끓는 점
- 413.1 · 413.1±44.0 °C(Predicted)
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.88 · 4.88±0.10(Predicted)
안전 및 규제
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
- 2924297099
화학 및 산업
공급사77 곳
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
无锡恩桥医药科技有限公司+8613812269233 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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