methyl({4-[(6-methylpyrazin-2-yl)oxy]phenyl}methyl)amine

• ChemBase编号: 77448
• 分子式: C13H15N3O
• 平均质量: 229.2777
• 单一同位素质量: 229.12151212
• SMILES: O(c1nc(cnc1)C)c1ccc(cc1)CNC
• Canonical SMILES: CNCc1ccc(cc1)Oc1cncc(n1)C
• InChI: InChI=1S/C13H15N3O/c1-10-7-15-9-13(16-10)17-12-5-3-11(4-6-12)8-14-2/h3-7,9,14H,8H2,1-2H3
• InChIKey: DAHTXAIQFDPRFK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({4-[(6-methylpyrazin-2-yl)oxy]phenyl}methyl)amine
• IUPAC传统名: methyl({4-[(6-methylpyrazin-2-yl)oxy]phenyl}methyl)amine
• 别名: N-methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine; N-Methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine; 2-Methyl-6-{4-[(methylamino)methyl]phenoxy}pyrazine 95%

登记号

• CAS号: 912569-67-6
• MDL号: MFCD09817536
• PubChem SID: 162042320
• PubChem CID: 24229697

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.8548899
• LogD (pH = 7.4): -0.7834582
• Log P: 1.3223647
• 摩尔折射率: 66.138 cm^3
• 极化性: 25.840141 Å^3
• 极化表面积: 47.04 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive

产品相关信息

• 纯度: 95%