dimethyl({3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl})amine

• ChemBase编号: 75906
• 分子式: C17H28BNO3
• 平均质量: 305.22012
• 单一同位素质量: 305.21622416
• SMILES: O(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CCCN(C)C
• Canonical SMILES: CN(CCCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C17H28BNO3/c1-16(2)17(3,4)22-18(21-16)14-8-10-15(11-9-14)20-13-7-12-19(5)6/h8-11H,7,12-13H2,1-6H3
• InChIKey: ONRJKPSMQGEPHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl})amine
• IUPAC传统名: dimethyl({3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl})amine
• 别名: 2-{4-[3-(dimethylamino)propoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-{4-[3-(Dimethylamino)propoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-[3-(Dimethylamino)propoxy]benzeneboronic acid, pinacol ester

登记号

• CAS号: 627899-90-5
• MDL号: MFCD09702395
• PubChem SID: 162040824
• PubChem CID: 24229609

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.19173878
• LogD (pH = 7.4): 1.8208742
• Log P: 3.6789
• 摩尔折射率: 85.0608 cm^3
• 极化性: 35.416817 Å^3
• 极化表面积: 30.93 Å^2
• 可自由旋转的化学键: 6
• 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%