2842-37-7

• 常用中文名：2-(苯基乙基氨基)乙醇
• 常用英文名：2-(Phenethylamino)ethanol
• CAS号：2842-37-7
• 分子式：C₁₀H₁₅NO
• 分子量：165.23200
• 发布时间：2018-09-03 19:00:34
• 更新时间：2024-01-08 19:49:47

名称

• 中文名: 2-(苯基乙基氨基)乙醇
• 英文名: 2-(2-phenylethylamino)ethanol
• 中文别名: 2-[(2-苯基乙基)氨基]乙醇; 2-[(2-苯基乙基)氨基]乙-1-醇
• 英文别名: N-Phenethylethanolamine; 2-Phenylethylaminoethanol; 2-Phenaethylamino-aethanol; 2-phenethylaminoethanol

物化性质

• 密度: 1.022 g/cm3
• 沸点: 302.3ºC at 760 mmHg
• 分子式: C₁₀H₁₅NO
• 分子量: 165.23200
• 闪点: 128.4ºC
• 精确质量: 165.11500
• PSA: 32.26000
• LogP: 1.20190
• 蒸汽压: 0.000443mmHg at 25°C
• 折射率: 1.533
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.1

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积:32.3

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:100

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : KM0175000 CHEMICAL NAME : Ethanol, 2-(phenethylamino)- CAS REGISTRY NUMBER : 2842-37-7 BEILSTEIN REFERENCE NO. : 2084395 LAST UPDATED : 199806 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C10-H15-N-O MOLECULAR WEIGHT : 165.26 WISWESSER LINE NOTATION : Q2M2R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1870 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 3 mL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

安全

• 海关编码: 2922199090

合成路线

415932-36-4 ~77% 2842-37-7

文献：Ji, Haitao; Li, Huiying; Martasek, Pavel; Roman, Linda J.; Poulos, Thomas L.; Silverman, Richard B. Journal of Medicinal Chemistry, 2009 , vol. 52, # 3 p. 779 - 797

141-43-5 103-63-9 ~% 2842-37-7

文献：Long, Daniel D.; Church, Timothy J.; Jacobsen, John R.; Jiang, Lan; Saito, Daisuke Roland; Stergiades, Ioanna; Van Dyke, Priscilla M.; Dalziel, Sean; Preza, Leticia Maria Patent: US2007/219278 A1, 2007 ; Location in patent: Page/Page column 23-24 ; US 20070219278 A1

141-43-5 585-71-7 ~% 2842-37-7

文献：ASTRAZENECA AB Patent: WO2005/123747 A1, 2005 ; Location in patent: Page/Page column 67-68 ; WO 2005/123747 A1

64-04-0 ~% 2842-37-7

文献：Fujieda, Hiroki; Usui, Shinya; Suzuki, Takayoshi; Nakagawa, Hidehiko; Ogura, Michitaka; Makishima, Makoto; Miyata, Naoki Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 15 p. 4351 - 4357

122-78-1 ~% 2842-37-7

文献：Alhamadsheh, Mamoun M.; Waters, Norman C.; Huddler, Donald P.; Kreishman-Deitrick, Mara; Florova, Galina; Reynolds, Kevin A. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 4 p. 879 - 883

622-24-2 141-43-5 ~% 2842-37-7

文献：Barbiere Bulletin de la Societe Chimique de France, 1940 , vol. <5>7, p. 621,623 Bulletin de la Societe Chimique de France, 1944 , vol. <5>11, p. 470,474

上下游产品

上游产品  7
415932-36-4 141-43-5 103-63-9 585-71-7
64-04-0 122-78-1 622-24-2
下游产品  0

海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%