76180-96-6

• 常用中文名：2-氨基-3-甲基-3H-咪唑并[4,5-F]喹啉
• 常用英文名：2-Amino-3-Methyl-3H-Imidazo[4,5-F]Quinoline
• CAS号：76180-96-6
• 分子式：C₁₁H₁₀N₄
• 分子量：198.22400
• 发布时间：2018-12-25 18:20:45
• 更新时间：2025-08-25 19:37:19

名称

• 中文名: 2-氨基-3-甲基-3H-咪唑并喹啉
• 英文名: 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine
• 中文别名: 2-氨基-3-甲基-3h-咪唑并喹啉; IQ[2-氨基-3-甲基咪唑并(4,5-F)喹啉]; 2-氨基-3-甲基-3H-咪唑并[4,5-f]喹啉
• 英文别名: 3-methylimidazo[4,5-f]quinolin-2-amine; N3-IQ; 2-amino-3-methylimidazolo<4,5-f>quinoline

物化性质

• 密度: 1.41 g/cm3
• 沸点: 458.7ºC at 760 mmHg
• 熔点: >300ºC
• 分子式: C₁₁H₁₀N₄
• 分子量: 198.22400
• 闪点: 231.2ºC
• 精确质量: 198.09100
• PSA: 56.73000
• LogP: 2.28490
• 外观性状: 淡黄褐色的结晶固体或黄褐色的粉末
• 储存条件: 库房通风低温干燥
• 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:3

  4.可旋转化学键数量:0

  5.互变异构体数量:4

  6.拓扑分子极性表面积56.7

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:245

  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. 性状：。

  2. 密度（g/mL,25/4℃）：

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：。

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NJ5910000 CHEMICAL NAME : 3H-Imidazo(4,5-f)quinoline, 2-amino-3-methyl- CAS REGISTRY NUMBER : 76180-96-6 LAST UPDATED : 199612 DATA ITEMS CITED : 53 MOLECULAR FORMULA : C11-H10-N4 MOLECULAR WEIGHT : 198.25 WISWESSER LINE NOTATION : T B566 CN EN JNJ DZ E1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4300 mg/kg/56W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 20800 mg/kg/97W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 776 gm/kg/2.3Y-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 29 gm/kg/96W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3600 mg/kg/43W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 25 gm/kg/96W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1050 mg/kg/2W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - tumors TYPE OF TEST : Specific locus test TYPE OF TEST : Sex chromosome loss and nondisjunction TYPE OF TEST : Morphological transformation TYPE OF TEST : DNA adduct TYPE OF TEST : DNA adduct TYPE OF TEST : DNA adduct TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Sister chromatid exchange TYPE OF TEST : Sister chromatid exchange TYPE OF TEST : Mutation in mammalian somatic cells TYPE OF TEST : Morphological transformation TYPE OF TEST : DNA adduct TYPE OF TEST : DNA damage TYPE OF TEST : Sister chromatid exchange MUTATION DATA TEST SYSTEM : Primate - monkey DOSE/DURATION : 300 mg/kg/3W (Intermittent) REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 12,931,1991 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,261,1986 IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 56,165,1993 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,261,1986 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 56,165,1993 IARC Cancer Review:Group 2A IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 56,165,1993

安全

• 危害码 (欧洲): T: Toxic;
• 海关编码: 2933990090

合成路线

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%