기본 정보
- CAS
63149-33-7- 표준 SMILES
O=Cc1cc2c3c(c1O)CCCN3CCC2- InChIKey
NRZXBDYODHLZBF-UHFFFAOYSA-N- 분자식
- C13H15NO2
- 평균 분자량
- 217.26 g/mol
- 단동위원소 질량
- 217.11027872
이름 및 식별자
- 우선 이름
- 9-Formyl-8-julolidinol
- IUPAC
- 6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde
- 영어명
- 8-Hydroxyjulolidine-9-aldehyde
- 분자식
- C13H15NO2
- 분자량
- 217.26
이름 및 동의어
63149-33-78-Hydroxyjulolidine-9-carboxaldehyde2,3,6,7-Tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde9-Formyl-8-julolidinol2,3,6,7-Tetrahydro-8-hydroxy-1H,5H-benzo(ij)quinolizine-9-carboxaldehydeA26Y1H0WB5EINECS 263-966-4DTXSID60697431H,5H-Benzo(ij)quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy-1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy-RefChem:549385DTXCID4043725
이름 더 보기
AKOS NCG-00558-hydroxyjulolodine-9-aldehyde9-Formyl-8-hydroxyjulolidine, 97%,8-Hydroxyjulolidine-9-carboxaldehyde>9-FORMYL-2,3,6,7-TETRAHYDRO-1H,5H-BENZO[IJ]QUINOLIZIN-8-OL2,3,6,7-TETRAHYDRO-8-HYDROXY-1H,5H-BENZO[IJ]QUINOLIZINE-9-CARBALDEHYDE
263-966-48-Hydroxyjulolidine-9-Aldehyde8-Hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-carbaldehyde9-Formyl-8-hydroxyjulolidineMFCD001924778-Hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo[i,j]quinolizine-9-carboxaldehyde6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde
데이터베이스 식별자
- CAS
63149-33-7- PubChem CID
- 113099
- DTXSID
DTXSID6069743- ChEMBL
CHEMBL212070- UNII
- A26Y1H0WB5
- EC Number
- 263-966-4
- Nikkaji
- J314.776B
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 281
물리화학적 성질
- 녹는점
- 69 · 69-73°C
- 끓는 점
- 417.3 · 417.3±45.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 9.47 · 9.47±0.20(Predicted)
- 색상
- White to Amber to Dark green
- 주요 응용
- 진단 검사 제조혈액학조직학
- InChI
- InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2
- InChIKey
- NRZXBDYODHLZBF-UHFFFAOYSA-N
- SMILES
- C12=CC(C=O)=C(O)C3=C1N(CCC3)CCC2
- EPA
- 1 H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, · 1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy- (63149-33-7)
안전 및 규제
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 44 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 CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy-: INACTIVE
응용 분야
용도8-Hydroxyjulolidine-9-carboxaldehyde is a reactant in the development of iminocoumarin-based zinc sensor suitable for ratiometric fluorescence imaging of neuronal zinc.
상·하류 제품 정보
상류 원료
하류 제품
공급사92 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
普善实业（陕西）有限公司
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