4-hydrazinyl-8-(trifluoromethyl)quinoline

• ChemBase编号: 99514
• 分子式: C10H8F3N3
• 平均质量: 227.1858296
• 单一同位素质量: 227.06703193
• SMILES: n1ccc(c2cccc(c12)C(F)(F)F)NN
• Canonical SMILES: NNc1ccnc2c1cccc2C(F)(F)F
• InChI: InChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6-8(16-14)4-5-15-9(6)7/h1-5H,14H2,(H,15,16)
• InChIKey: CJQJNVOPMJTCHC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-8-(trifluoromethyl)quinoline
• IUPAC传统名: 4-hydrazinyl-8-(trifluoromethyl)quinoline
• 别名: 4-Hydrazino-8-(trifluoromethyl)quinoline; 4-HYDRAZINO-8-TRIFLUOROMETHYL-QUINOLINE; 4-hydrazinyl-8-(trifluoromethyl)quinoline

登记号

• CAS号: 57369-92-3
• MDL号: MFCD00272472
• PubChem SID: 162085778
• PubChem CID: 15151238

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.0949807
• LogD (pH = 7.4): 2.3955426
• Log P: 2.4003916
• 摩尔折射率: 55.6597 cm^3
• 极化性: 20.51519 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 3.179

安全信息

• 保存注意事项: Irritant

产品相关信息

• 纯度: 95%; 98%