4-[(6-methylpyrazin-2-yl)oxy]aniline

• ChemBase编号: 75931
• 分子式: C11H11N3O
• 平均质量: 201.22454
• 单一同位素质量: 201.09021199
• SMILES: O(c1nc(cnc1)C)c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)Oc1cncc(n1)C
• InChI: InChI=1S/C11H11N3O/c1-8-6-13-7-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,12H2,1H3
• InChIKey: OZPUGVATAOJVLW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(6-methylpyrazin-2-yl)oxy]aniline
• IUPAC传统名: 4-[(6-methylpyrazin-2-yl)oxy]aniline
• 别名: 4-[(6-methylpyrazin-2-yl)oxy]aniline; 2-(4-Aminophenoxy)-6-methylpyrazine; 4-[(6-Methylpyrazin-2-yl)oxy]aniline 97%

登记号

• CAS号: 915707-63-0
• MDL号: MFCD09702409
• PubChem SID: 162040849
• PubChem CID: 24229694

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.92298335
• LogD (pH = 7.4): 0.93493533
• Log P: 0.9350899
• 摩尔折射率: 57.5904 cm^3
• 极化性: 21.770664 Å^3
• 极化表面积: 61.03 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Toxic/Harmful/Irritant/Light Sensitive/Keep Cold

产品相关信息

• 纯度: 97%