125-99-5

• 常用中文名：曲地碘铵
• 常用英文名：tridihexethyl iodide
• CAS号：125-99-5
• 分子式：C₂₁H₃₆INO
• 分子量：445.42100
• 发布时间：2018-06-27 19:11:43
• 更新时间：2024-01-11 13:40:54

名称

• 中文名: 曲地碘铵
• 英文名: tridihexethyl iodide
• 英文别名: Ioduro de tridihexetilo; Tridihexide; EINECS 204-762-7; Claviton; triethyl-(3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-ammonium,iodide; Triaethyl-(3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-ammonium,Jodid; Tridihexethide; Iodure de tridihexethyl; Tridihexethyli iodidum; (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium,iodide; Trihexethyl iodide; Tridihexethyl iodide; Propethonum iodide

物化性质

• 分子式: C₂₁H₃₆INO
• 分子量: 445.42100
• 精确质量: 445.18400
• PSA: 20.23000
• LogP: 1.72510
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:8

  5.互变异构体数量:无

  6.拓扑分子极性表面积20.2

  7.重原子数量:24

  8.表面电荷:0

  9.复杂度:319

  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:1

  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:2

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : BP5775000 CHEMICAL NAME : Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, iodide CAS REGISTRY NUMBER : 125-99-5 LAST UPDATED : 198806 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C21-H36-N-O.I MOLECULAR WEIGHT : 445.48 WISWESSER LINE NOTATION : L6TJ AXQR&2K2&2&2 &Q &I 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 : 1100 mg/kg TOXIC EFFECTS : Autonomic Nervous System - ganglion blocker Autonomic Nervous System - parasympatholytic REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 137,250,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 27 mg/kg TOXIC EFFECTS : Autonomic Nervous System - ganglion blocker Autonomic Nervous System - parasympatholytic REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 137,250,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 570 mg/kg TOXIC EFFECTS : Autonomic Nervous System - ganglion blocker Autonomic Nervous System - parasympatholytic REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 137,250,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,84S,1957 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 220 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,84S,1957 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 18 mg/kg TOXIC EFFECTS : Autonomic Nervous System - ganglion blocker Autonomic Nervous System - parasympatholytic REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 137,250,1962

安全

• 海关编码: 2923900090

海关

海关编码	2923900090
中文概述	2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。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
Summary	2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%