기본 정보
- CAS
1803582-64-0- 표준 SMILES
CC(C)(C)OC(=O)N1CC(CC(=O)O)(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1- InChIKey
QMYAURCWORVLRX-UHFFFAOYSA-N- 분자식
- C29H35N3O6
- 평균 분자량
- 521.6 g/mol
- 단동위원소 질량
- 521.25258584
이름 및 식별자
- 우선 이름
- 2-{1-[(tert-butoxy)carbonyl]-3-{4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazin-1-yl}azetidin-3-yl}acetic acid
- IUPAC
- 2-[3-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
이름 및 동의어
1803582-64-02-{1-[(tert-butoxy)carbonyl]-3-{4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazin-1-yl}azetidin-3-yl}acetic acid2-(1-[(tert-Butoxy)carbonyl]-3-(4-[(9h-fluoren-9-ylmethoxy)carbonyl]piperazin-1-yl)azetidin-3-yl)acetic acid2-(1-((tert-butoxy)carbonyl)-3-(4-((9H-fluoren-9-ylmethoxy)carbonyl)piperazin-1-yl)azetidin-3-yl)acetic acidRefChem:450585831-663-12-[3-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acidDXC582642-{1-[(tert-butoxy)carbonyl]-3-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)azetidin-3-yl}acetic acidEN300-1836152-{1-[(tert-butoxy)carbonyl]-3-{4-Fmocpiperazin-1-yl}azetidin-3-yl}acetic acid2-(3-(4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazin-1-yl)-1-(tert-butoxycarbonyl)azetidin-3-yl)acetic acid
이름 더 보기
2-{1-[(tert-butoxy)carbonyl]-3-{4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazin-1-yl}azetidin-3-yl}aceticacid
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 99.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 867
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%)
관련 반응
0건
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