기본 정보
- CAS
444583-13-5- 표준 SMILES
CC(C)(C)OC(=O)N1Cc2ccccc2C1CC(=O)O- InChIKey
XSSWFYSBSGAYOD-UHFFFAOYSA-N- 분자식
- C15H19NO4
- 평균 분자량
- 277.31 g/mol
- 단동위원소 질량
- 277.13140809
이름 및 식별자
- 우선 이름
- 2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid
- IUPAC
- 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-1-yl]acetic acid
- 현지명
- 2-(2-(tert-부톡시카르보닐)이소인돌린-1-일)아세트산
- 영어명
- 2-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid
- 분자식
- C15H19NO4
- 분자량
- 277.32
이름 및 동의어
2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid2-(2-((tert-butoxy)carbonyl)-2,3-dihydro-1H-isoindol-1-yl)acetic acidRefChem:452357989-003-4444583-13-52-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-1-yl]acetic acidSCHEMBL48588602-Boc-isoindoline-1-acetic AcidDTXSID70730009XSSWFYSBSGAYOD-UHFFFAOYSA-NUSA58313
이름 더 보기
2-(2-(tert-부톡시카르보닐)이소인돌린-1-일)아세트산1H-Isoindole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3-dihydro-
MFCD13195382AKOS022175989SB65461SY216548EN300-3033862-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)aceticacidZ1505705729[2-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindol-1-yl]acetic acid
데이터베이스 식별자
- CAS
444583-13-5- PubChem CID
- 58777860
- DTXSID
DTXSID70730009- EC Number
- 989-003-4
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 388
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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 1 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
공급사5 곳
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
관련 반응
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