91349-97-2

• 常用中文名：2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO-
• 常用英文名：2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO-
• CAS号：91349-97-2
• 分子式：C₁₁H₁₂N₂
• 分子量：172.22600
• 发布时间：2016-05-10 01:25:35
• 更新时间：2024-01-10 14:03:51

名称

• 英文名: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
• 英文别名: 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetonitrile; 2-Cyanomethyl-1,2,3,4-tetrahydroisoquinoline; 1,2,3,4-Tetrahydro-2-isoquinolineacetonitrile; 1,2,3,4-Tetrahydro-2-leucolineacetonitrile; N-(cyanomethyl)-1,2,3,4-tetrahydroisoquinoline; [1,2,3,4-tetrahydroisoquinoline]-2-acetonitrile; (3,4-Dihydro-1H-isoquinolin-2-yl)acetonitrile; (1,2,3,4-Tetrahydro-isochinolinyl)-acetonitril; 2-ISOQUINOLINEACETONITRILE,1,2,3,4-TETRAHYDRO

物化性质

• 密度: 1.088g/cm3
• 沸点: 303.5ºC at 760 mmHg
• 分子式: C₁₁H₁₂N₂
• 分子量: 172.22600
• 闪点: 130.6ºC
• 精确质量: 172.10000
• PSA: 27.03000
• LogP: 1.50618
• 折射率: 1.56

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NW6845000 CHEMICAL NAME : 2-Isoquinolineacetonitrile, 1,2,3,4-tetrahydro- CAS REGISTRY NUMBER : 91349-97-2 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H12-N2 MOLECULAR WEIGHT : 172.25 WISWESSER LINE NOTATION : T66 CNT&J C1CN HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08280

合成路线

91-21-4 107-14-2 ~70% 91349-97-2

文献：Contreras, Jean-Marie; Rival, Yveline M.; Chayer, Said; Bourguignon, Jean-Jacques; Wermuth, Camille G. Journal of Medicinal Chemistry, 1999 , vol. 42, # 4 p. 730 - 741

91-21-4 590-17-0 ~% 91349-97-2

文献：Mach, Robert H.; Huang, Yunsheng; Freeman, Rebekah A.; Wu, Li; Vangveravong, Suwanna; Luedtke, Robert R. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 1 p. 195 - 202

91-21-4 ~% 91349-97-2

文献：Wu, Chengde; Anderson, C. Eric; Bui, Huong; Dupre, Brian; Gao, Daxin; Holland, George W.; Kassir, Jamal; Li, Wen; Wang, Junmei Patent: US2005/54850 A1, 2005 ;

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