기본 정보
- CAS
1245614-69-0- 표준 SMILES
CC(C)(C)OC(=O)NC1CCC(C(=O)O)C1- InChIKey
RNJQBGXOSAQQDG-UHFFFAOYSA-N- 분자식
- C11H19NO4
- 평균 분자량
- 229.27 g/mol
- 단동위원소 질량
- 229.13140809
이름 및 식별자
- 우선 이름
- 3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
- IUPAC
- 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
- 현지명
- 3-((tert-부톡시카르보닐)아미노)시클로펜탄카르복실산
- 영어명
- 3-((tert-Butoxycarbonyl)aMino)cyclopentanecarboxylic acid
- 분자식
- C11H19NO4
- 분자량
- 229.27
이름 및 동의어
855863-93-33-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acidDTXSID30411342RefChem:273058DTXCID40362194816-958-5MFCD020939973-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic Acid3-(Boc-amino)cyclopentanecarboxylic Acid3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid3-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylicacid
이름 더 보기
3-((tert-부톡시카르보닐)아미노)시클로펜탄카르복실산3-(tert-Butoxycarbonyl-amino)cyclopentane-1-carboxylic acidCyclopentanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-
410090-37-8trans-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid(+)-(1S,3R)-N-Boc-3-aminocyclopentane carboxylic acid3-((tert-butoxycarbonyl)amino)cyclopentane-1-carboxylic acid3-[(TERT-BUTOXYCARBONYL)AMINO]CYCLOPENTANE-1-CARBOXYLIC ACID(1S,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid(1R,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acidN-Boc-3-Aminocyclopentanecarboxylic acid
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 282
물리화학적 성질
- 끓는 점
- 382.5 · 382.5±31.0 °C(Predicted)
- 밀도
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.62 · 4.62±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.；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 Categories
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사32 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东龙辰药业有限公司15964061209 15964061209 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海珂华生物科技有限公司
관련 반응
4건
화합물 노트
불러오는 중…