methyl({[3-(prop-2-en-1-yloxy)phenyl]methyl})amine

• ChemBase编号: 312412
• 分子式: C11H15NO
• 平均质量: 177.2429
• 单一同位素质量: 177.11536411
• SMILES: C(=C)COc1cc(CNC)ccc1
• Canonical SMILES: CNCc1cccc(c1)OCC=C
• InChI: InChI=1S/C11H15NO/c1-3-7-13-11-6-4-5-10(8-11)9-12-2/h3-6,8,12H,1,7,9H2,2H3
• InChIKey: WJUMHDULZXVUPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[3-(prop-2-en-1-yloxy)phenyl]methyl})amine
• IUPAC传统名: methyl({[3-(prop-2-en-1-yloxy)phenyl]methyl})amine
• 别名: 1-[3-(allyloxy)phenyl]-N-methylmethanamine

登记号

• CAS号: 869941-97-9
• MDL号: MFCD04482306

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.0698111
• LogD (pH = 7.4): 0.01419577
• Log P: 2.105173
• 摩尔折射率: 54.9319 cm^3
• 极化性: 21.524822 Å^3
• 极化表面积: 21.26 Å^2