17091-40-6

• 常用中文名：2-異丁胺乙醇
• 常用英文名：Ethanol,2-[(2-methylpropyl)amino]-
• CAS号：17091-40-6
• 分子式：C₆H₁₅NO
• 分子量：117.18900
• 发布时间：2018-04-03 08:00:00
• 更新时间：2024-01-14 06:21:40

名称

• 中文名: 2-異丁胺乙醇
• 英文名: 2-(2-methylpropylamino)ethanol
• 中文别名: 2-(异丁基氨基)乙醇
• 英文别名: EINECS 241-159-8; 2-Isobutylamino-aethanol

物化性质

• 密度: 0.872g/cm3
• 沸点: 199.5ºC at 760mmHg
• 分子式: C₆H₁₅NO
• 分子量: 117.18900
• 闪点: 72.1ºC
• 精确质量: 117.11500
• PSA: 32.26000
• LogP: 0.61520
• 蒸汽压: 0.0852mmHg at 25°C
• 折射率: 1.433
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.4

  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:4

  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:8

  8.表面电荷:0

  9.复杂度:45.8

  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 : KL4200000 CHEMICAL NAME : Ethanol, 2-(isobutyl)amino- CAS REGISTRY NUMBER : 17091-40-6 BEILSTEIN REFERENCE NO. : 1732709 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C6-H15-N-O MOLECULAR WEIGHT : 117.22 WISWESSER LINE NOTATION : Q2M1Y1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

安全

• 海关编码: 2922199090

合成路线

75-21-8 78-81-9 ~80% 17091-40-6

文献：ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/58782 A1, 2004 ; Location in patent: Page 65 ; WO 2004/058782 A1

78-81-9 141-46-8 ~% 17091-40-6

文献：Morrow,D.F. et al. Journal of Medicinal Chemistry, 1973 , vol. 16, # 6 p. 736 - 739

78-77-3 141-43-5 ~% 17091-40-6

文献：Novocol Chem.Mfg.Co. Patent: US2139818 , 1935 ; Full Text Show Details Novocol Chem.Mfg.Co. Patent: GB482886 , 1936 ; Full Text Show Details Pierce; Salsbury; Fredericksen Journal of the American Chemical Society, 1942 , vol. 64, p. 1691,1692

141-43-5 78-84-2 ~% 17091-40-6

文献：Cope; Hancock Journal of the American Chemical Society, 1942 , vol. 64, p. 1503,1504

80066-51-9 ~0% 62372-29-6 17091-40-6 108-93-0

文献：Kukharev, B.F.; Stankevich, V.K.; Kukhareva, V.A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 4 p. 437 - 439 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 4 p. 533 - 535

上下游产品

上游产品  7
75-21-8 78-81-9 141-46-8 78-77-3
141-43-5 78-84-2 80066-51-9
下游产品  3
16250-86-5 73861-84-4 63957-01-7

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%