35764-54-6

• 常用中文名：2,3,4,9-四氢-6-甲氧基-1H-吡咯[3,4-B]吲哚(HCL)
• 常用英文名：6-METHOXY-1,2,3,4-TETRAHYDRO-9 H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDE
• CAS号：35764-54-6
• 分子式：C₁₂H₁₅ClN₂O
• 分子量：238.71300
• 发布时间：2018-12-28 16:26:59
• 更新时间：2024-01-10 12:37:43
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名称

• 中文名: 2,3,4,9-四氢-6-甲氧基-1H-吡咯[3,4-B]吲哚(HCL)
• 英文名: 6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole hydrochloride
• 中文别名: 6-甲氧基-1,2,3,4-四氢-9H-吡啶并[3,4-B]吲哚盐酸盐
• 英文别名: MFCD00075570; 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole,hydrochloride

物化性质

• 密度: 1.198g/cm3
• 沸点: 388.6ºC at 760mmHg
• 熔点: 288-290ºC(lit.)
• 分子式: C₁₂H₁₅ClN₂O
• 分子量: 238.71300
• 闪点: 188.8ºC
• 精确质量: 238.08700
• PSA: 37.05000
• LogP: 2.95300
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积37

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:234

  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:2

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UV0795000 CHEMICAL NAME : 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-, monohydrochloride CAS REGISTRY NUMBER : 35764-54-6 LAST UPDATED : 199012 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C12-H14-N2-O.Cl-H MOLECULAR WEIGHT : 238.74 WISWESSER LINE NOTATION : T B656 EN HMT&&J LO1 &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 595 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Gastrointestinal - changes in structure or function of salivary glands REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 28,42,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 235 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 28,42,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 112 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature increase REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 28,42,1978

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H312-H315-H319-H332-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): 20/21/22-36/37/38
• 安全声明 (欧洲): S26;S36
• 危险品运输编码: NONH for all modes of transport
• RTECS号: UV0795000
• 海关编码: 2933990090

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%