3-methyl-3H-imidazo[4,5-f]quinolin-2-amine

• ChemBase编号: 77925
• 分子式: C11H10N4
• 平均质量: 198.2239
• 单一同位素质量: 198.09054634
• SMILES: n1c2c(ccc1)c1c(cc2)n(c(n1)N)C
• Canonical SMILES: Nc1nc2c(n1C)ccc1c2cccn1
• InChI: InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
• InChIKey: ARZWATDYIYAUTA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine
• IUPAC传统名: 3-methylimidazo[4,5-f]quinolin-2-amine
• 别名: 3-Methyl-3H-imidazo[4,5-f]quinolin-2-amine; IQ; 2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline; lQ; 2-AMINO-3-METHYL-3H-IMIDAZO-[4,5-f]-QUINOLINE

登记号

• CAS号: 76180-96-6
• MDL号: MFCD00210316
• PubChem SID: 162042766
• PubChem CID: 53462

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.14828436
• LogD (pH = 7.4): 1.1155684
• Log P: 1.4961587
• 摩尔折射率: 57.9602 cm^3
• 极化性: 24.235197 Å^3
• 极化表面积: 56.73 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Hydrochloric Acid (aq); Methanol Slightly
• 外观: Beige Solid
• 熔点: >300°C; >300°C

安全信息

• 保存条件: 2-8°C; Refrigerator
• 保存注意事项: Toxic
• RTECS编号: NJ5910000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 危险公开号: R:45
• 安全公开号: S:28-36/37/39-45-53

产品相关信息

• 纯度: ≥98%

详细说明

MP Biomedicals - 02154189

(lQ) Purity: ≥98%

Apollo Scientific Ltd - OR1690T

Exhibits extraordinarily high mutagenic potency in the Ames test.

Apollo Scientific Ltd - OR1650T

Broiled fish, fried beef, commercial beef extracts & protein pyrolysates contain IQ which is highly mutagenic in the Ames assay.

Toronto Research Chemicals - A616500

IQ is highly mutagenic in the Ames test. Investigations have shown that this compound may be present in broiled fish, fried beef, commercial beef extracts and protein pyrolysates.

参考文献

• Ohgaki, H., et al.: Carcinogenesis, 5, 921 (1984)
• Stavric, B., et al.: Fd. Chem. Toxic., 31, 12, 981 (1984)
• Sugimura, T., et al.: Mutation Research, 290, 43 (1984)
• Eisenbrand & Tang: Toxicology, 84, 1 (1984)
• Josephy, P.D., et al.: Carcinogenesis, 16,