기본 정보
- CAS
170097-67-3- 표준 SMILES
CC(C)(C)OC(=O)N1CCc2cc(C(=O)O)ccc2C1- InChIKey
UHOIFEOHBGCPHE-UHFFFAOYSA-N- 분자식
- C15H19NO4
- 평균 분자량
- 277.31 g/mol
- 단동위원소 질량
- 277.13140809
이름 및 식별자
- 우선 이름
- 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
- 영어명
- 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
- 분자식
- C15H19NO4
- 분자량
- 277.32
이름 및 동의어
170097-67-32-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid2-Boc-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic AcidDTXSID20463496RefChem:462315DTXCID50414315676-412-5N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid3,4-Dihydro-1H-isoquinoline-2,6-dicarboxylic acid 2-tert-butyl esterMFCD058615482-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic Acid2-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-6-CARBOXYLIC ACID
이름 더 보기
Lifitegrast Impurity 45N-BOC-6-HYDROXYCARBONYL-1,2,3,4-TETRAHYDRON-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylicN-BOC-6-HYDROXYCARBONYL-1,2,3,4-TETRAHYDROISOQUINOLINE2-(Tert-Butoxycarbonyl)-1,2,3,4-Tetrahydroisoquinoline-6-Car...2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBONIC ACID
2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acidSCHEMBL306991DS-124912-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid2-(tert-Butoxycarbonyl)-1234-tetrahydroisoquinoline-6-carboxylic acidUHOIFEOHBGCPHE-UHFFFAOYSA-NVEW64399TTSCHEMBL29406723
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 388
물리화학적 성질
- 끓는 점
- 429.3 · 429.3±45.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.33 · 4.33±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (25%)
안전 데이터
- HS 번호
- 2933992000
화학 및 산업
상·하류 제품 정보
상류 원료
공급사77 곳
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [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]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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