1084-43-1

• 常用中文名：Phenazinium,1,3-diamino-5-methyl-, chloride (1:1)
• 常用英文名：Phenazinium,1,3-diamino-5-methyl-, chloride (1:1)
• CAS号：1084-43-1
• 分子式：C₁₃H₁₃ClN₄
• 分子量：260.72200
• 发布时间：2016-10-22 10:55:39
• 更新时间：2024-01-02 23:56:30

名称

• 英文名: 5-methylphenazin-5-ium-1,3-diamine,chloride
• 英文别名: Phenazinium,1,3-diamino-5-methyl-,chloride; 1,3-Diamino-5-methylphenazinium chloride; NCI 1528; SN 967; 2,4-Diamino-10-methylphenazinium chloride; EINECS 214-110-3

物化性质

• 分子式: C₁₃H₁₃ClN₄
• 分子量: 260.72200
• 精确质量: 260.08300
• PSA: 68.81000
• 蒸汽压: 6.43E-06mmHg at 25°C
• 折射率: 1.726
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:15

  6.拓扑分子极性表面积68.8

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:283

  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 : SG1625000 CHEMICAL NAME : Phenazinium, 1,3-diamino-5-methyl-, chloride CAS REGISTRY NUMBER : 1084-43-1 LAST UPDATED : 199109 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C13-H13-N4.Cl MOLECULAR WEIGHT : 260.75 WISWESSER LINE NOTATION : T C666 BK INJ B1 D1 F1 &Q &G 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 : 110 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CNCRA6 Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 23,61,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 109 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986

安全

• 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%