기본 정보
- CAS
1146576-61-5- 표준 SMILES
CC(=O)C1CCCc2cccnc21- InChIKey
YCPXJTSSSPGZOE-UHFFFAOYSA-N- 분자식
- C11H13NO
- 평균 분자량
- 175.23 g/mol
이름 및 식별자
- 우선 이름
- 1-(5,6,7,8-Tetrahydroquinolin-8-yl)ethan-1-one
- IUPAC
- 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
- 현지명
- 8-아세틸-5,6,7,8-테트라하이드로퀴놀린
- 영어명
- 8-Acetyl-5,6,7,8-tetrahydroquinoline
- 분자식
- C11H13NO
- 분자량
- 175.23
이름 및 동의어
1146576-61-51-(5,6,7,8-tetrahydroquinolin-8-yl)ethan-1-oneRefChem:426073802-467-38-Acetyl-5,6,7,8-tetrahydroquinoline1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanoneSCHEMBL2688968SCHEMBL29640806YCPXJTSSSPGZOE-UHFFFAOYSA-N8-Acetyl-5678-tetrahydroquinolineMFCD19689778AKOS017523539
이름 더 보기
8-아세틸-5,6,7,8-테트라하이드로퀴놀린8-Acetyl-5,6,7,8-tetrahydroquinoline 95%Ethanone, 1-(5,6,7,8-tetrahydro-8-quinolinyl)-
SY362811CS-0102376F53821EN300-1709940F605996
데이터베이스 식별자
- CAS
1146576-61-5- PubChem CID
- 42604452
- EC Number
- 802-467-3
- Nikkaji
- J2.706.252K
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 30 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 202
물리화학적 성질
- 끓는 점
- 312.4 · 312.4±30.0 °C(Predicted)
- 밀도
- 1.107 g/mL · 1.107 g/mL at 25 °C
- 굴절률
- 20 · n20/D1.568
- 인화점
- 110 ℃ · >110℃
- 산도 계수 (pKa)
- 5.44 · 5.44±0.40(Predicted)
- 물리적 상태
- liquid
- InChI
- 1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h3,5,7,10H,2,4,6H2,1H3
- InChIKey
- YCPXJTSSSPGZOE-UHFFFAOYSA-N
- SMILES
- n1c2c(ccc1)CCCC2C(=O)C
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (95.1%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2810 6.1 / PGIII
- risk_code
- 25-36/37/38
- hazard_code
- T
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도Versatile ligand for CuI mediated room temperature C-N coupling reactions
상·하류 제품 정보
상류 원료
공급사11 곳
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海立崎生物医学研究中心18014399201 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
관련 반응
68건
HRID 1344689촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344690촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344691촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344692촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344693촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344694촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344695촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
화합물 노트
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