기본 정보
- CAS
128073-49-4- 표준 SMILES
CCOC(=O)C1c2ccc(O)cc2CCN1C(=O)OC(C)(C)C- InChIKey
HOPREPHTFMBXEI-UHFFFAOYSA-N- 분자식
- C17H23NO5
- 평균 분자량
- 321.4 g/mol
이름 및 식별자
- 우선 이름
- 2-Tert-butyl 1-ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1,2-dicarboxylate
- IUPAC
- 2-O-tert-butyl 1-O-ethyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
- 영어명
- 2-tert-butyl 1-ethyl 3,4-dihydro-6-hydroxyisoquinoline-1,2(1H)-dicarboxylate
- 분자식
- C17H23NO5
- 분자량
- 321.37
이름 및 동의어
128073-49-42-tert-butyl 1-ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1,2-dicarboxylateRefChem:483577826-713-42-tert-Butyl 1-ethyl 6-hydroxy-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylateMFCD244667032-(tert-butyl) 1-ethyl 6-hydroxy-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylate2-O-tert-butyl 1-O-ethyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-6-hydroxy-,2-(1,1-dimethylethyl) 1-ethyl esterSCHEMBL2081445HOPREPHTFMBXEI-UHFFFAOYSA-NDA-25670
이름 더 보기
2-tert-butyl 1-ethyl 3,4-dihydro-6-hydroxyisoquinoline-1,2(1H)-dicarboxylate6-HYDROXY-3,4-DIHYDRO-1H-ISOQUINOLINE-1,2-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER 1-ETHYL ESTER
EN300-344211Z15086909042-t-butyl 1-ethyl 6-hydroxy-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylate2-tert-Butyl1-ethyl6-hydroxy-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylate1-ethyl 2-tert-butyl 6-hydroxy-3,4-dihydroisoquinoline-1,2 (1H)-dicarboxylate1-ethyl 2-tert-butyl 6-hydroxy-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylate2-(t-Butyl) 1-ethyl 6-hydroxy-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylateO2-tert-butyl O1-ethyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 76.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 445
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)
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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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
공급사11 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
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