1159-03-1

• 常用中文名：5-(3-二甲氨基丙基)-10,11-二氢二苯并[A,D]环庚烯-5-醇
• 常用英文名：5-(3-dimethylaminopropyl)-10,11-dihydrodibenzo[a,d]cyclohepten-5-ol
• CAS号：1159-03-1
• 分子式：C₂₀H₂₅NO
• 分子量：295.419
• 发布时间：2018-12-25 17:18:56
• 更新时间：2026-07-06 12:03:10

名称

• 中文名: 5-(3-二甲氨基丙基)-10,11-二氢二苯并[A,D]环庚烯-5-醇
• 英文名: 11-[3-(dimethylamino)propyl]-5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulen-11-ol
• 中文别名: 盐酸去甲替林杂质D; 盐酸阿米替林杂质D/盐酸去甲替林杂质D; 盐酸阿米替林D; 去甲替林杂质D; AMITRIPTYLINE 杂质 D; 5-(3-二甲氨基丙基)-10,11-二氢二苯并[A,D]环庚烯-5-醇相关信息; 阿米替林杂质B; 阿米替林杂质D(去甲替林杂质D); 阿米替林杂质D; 5-[3-(二甲基氨基)丙基]-10,11-二氢-5H-二苯并[A,D]环庚烯-5-醇; 5-(3-(二甲氨基)丙基)-10,11-二氢-5H-二苯并[A,D]轮烯-5-醇; 5-(3-二甲氨基丙基)-10,11-二氢二苯; 盐酸阿米替林杂质D; 阿米替林杂质4 (阿米替林杂质D); 5-(3-二甲氨基丙基)-10,11-二氢二苯并[A,D]环庚烯-5-醇(阿米替林杂质B); 阿米替林相关化合物B; 阿米替林相关物质B 标准品; 5-(3-(二甲氨基)丙基)-10,11-二氢-5H-二苯并[A,D]环-5-醇
• 英文别名: AMITRITYLINE HYDROCHLORIDE IMP D; 5-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(a,d)cycloht; Nortriptyline Hydrochloride Impurity D; Amitriptyline Related Compound B (25 mg) (5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d]-cyclohten-5-ol); 5H-Dibenzo[a,d]cyclohten-5-ol,5-[3-(dimethylamino)propyl]-10,11-dihydro; 5-Hydroxy-5-<3-dimethylamino-propyl>-dibenzo<<1,4>cycloheptadien; 5-(3-Dimethylaminopropyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohten-5-ol in methanol; 5-(3-(DiMethylaMino)propyl)-10,11-dihydro-5H-dibenzo[a,d]annulen-5-ol; 5-(3-dimethylaminopropyl)-10,11-dihydrodibenzo[a,d]cyclohten-5-ol; 5-(3-Dimethylamino-propyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol; EINECS 214-594-6; AMitriptyline Related CoMpound B; AMitriptyline Hydrochloride IMpurity D; Amitriptyline Impurity D; AMitriptyline IMpurity B; 5-[3-(Dimethylamino)propyl]-10,11-d; AMITRIPTYNOL; Amitriptyline Impurity D (Amitriptyline Related Compound B); 5-(3-DIMETHYLAMINOPROPYL)-10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHTEN-5-OL; AMITRIPTYLINE IMP D; Amitriptyline Impurity D/ Amitriptyline Related Compound B (Nortriptyline Impurity D/ Amitriptynol); 11-[3-(dimethylamino)propyl]-5,6-dihydrodibenzo[1,2-a:1',2'-e]annulen-11-ol; Amitriptyline Impurity 4; Amitriptyline Impurity 2; Amitriptyline Related Compound B (5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d]-cyclohe; Nortriptyline Impurity D (Amitriptyline Impurity D/ Amitriptyline Related Compound B/ Amitriptynol); Nortriptyline Impurity 4 (Nortriptyline Impurity D); 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol; 5-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo[a,d]cyclohteen-5-ol; Nortriptyline Impurity D; d.5-[3-(dimethylamino)propyl]-10,11-dihydro-5h-dibenzo[a,d]annulen-5-ol; Amitriptyline Impurity D (Nortriptyline Impurity D)

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 413.0±40.0 °C at 760 mmHg
• 分子式: C₂₀H₂₅NO
• 分子量: 295.419
• 闪点: 186.4±26.0 °C
• 精确质量: 295.193604
• PSA: 23.47000
• LogP: 2.81
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.583
• 分子结构:

  1、 摩尔折射率：91.46

  2、 摩尔体积（cm³/mol）：273.5

  3、 等张比容（90.2K）：707.1

  4、 表面张力（dyne/cm）：44.6

  5、 极化率（10-24cm3）：36.25

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.6

  2.氢键供体数量:1

  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23.5

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:330

  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

• 更多:

  1.密度（g/cm3）：1.079

  2.沸点（760 mmHg,ºC）：413

  3.闪点（ºC）：186.4

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : HP1118000 CHEMICAL NAME : 5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(3-dimethylaminopropyl)- CAS REGISTRY NUMBER : 1159-03-1 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C20-H25-N-O MOLECULAR WEIGHT : 295.46 WISWESSER LINE NOTATION : L C676&T&J BQ B3N1&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 : 120 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,338,1963

安全

• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2922199090

合成路线

1210-35-1 109-54-6 ~68% 1159-03-1

文献：Hudgens, Debjani P.; Taylor, Catherine; Batts, Timothy W.; Patel, Manoj K.; Brown, Milton L. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 24 p. 8366 - 8378

19070-16-7 1210-35-1 ~81% 1159-03-1

文献：Kupracz, Lukas; Kirschning, Andreas Advanced Synthesis and Catalysis, 2013 , vol. 355, # 17 p. 3375 - 3380

3433-80-5 ~% 1159-03-1

文献：Advanced Synthesis and Catalysis, , vol. 355, # 17 p. 3375 - 3380

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%