methyl({[4-(oxan-4-yloxy)phenyl]methyl})amine

• ChemBase编号: 75901
• 分子式: C13H19NO2
• 平均质量: 221.29546
• 单一同位素质量: 221.14157885
• SMILES: O(C1CCOCC1)c1ccc(cc1)CNC
• Canonical SMILES: CNCc1ccc(cc1)OC1CCOCC1
• InChI: InChI=1S/C13H19NO2/c1-14-10-11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h2-5,13-14H,6-10H2,1H3
• InChIKey: BIMJTFGNKMMZOM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[4-(oxan-4-yloxy)phenyl]methyl})amine
• IUPAC传统名: methyl({[4-(oxan-4-yloxy)phenyl]methyl})amine
• 别名: N-methyl-4-(tetrahydropyran-4-yloxy)benzylamine; N-Methyl-{4-[tetrahydro-2H-(pyran-4-yl)oxy]phenyl}methanamine; 4-{4-[Methylamino)methyl]phenoxy}tetrahydro-2H-pyran; N-Methyl-4-[tetrahydro-2H-(pyran-4-yl)oxy]benzylamine 95%

登记号

• CAS号: 898289-40-2
• MDL号: MFCD09702369
• PubChem SID: 162040819
• PubChem CID: 24229529

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.8495445
• LogD (pH = 7.4): -0.82246554
• Log P: 1.3351095
• 摩尔折射率: 64.2447 cm^3
• 极化性: 25.382326 Å^3
• 极化表面积: 30.49 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 170°C/0.3mm

安全信息

• 保存注意事项: Corrosive/Toxic/Harmful/Air Sensitive/Store under Argon

产品相关信息

• 纯度: 95%