(3-methoxypropyl)(methyl){2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}amine

• ChemBase编号: 236483
• 分子式: C19H32BNO4
• 平均质量: 349.27268
• 单一同位素质量: 349.24243891
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)OCCN(CCCOC)C
• Canonical SMILES: COCCCN(CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C19H32BNO4/c1-18(2)19(3,4)25-20(24-18)16-8-10-17(11-9-16)23-15-13-21(5)12-7-14-22-6/h8-11H,7,12-15H2,1-6H3
• InChIKey: ZZAKCBUXPMILGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3-methoxypropyl)(methyl){2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}amine
• IUPAC传统名: (3-methoxypropyl)(methyl){2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}amine
• 别名: (3-methoxypropyl)(methyl){2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}amine

登记号

• MDL号: MFCD22369820
• PubChem SID: 164292393
• PubChem CID: 71755722

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.21206586
• LogD (pH = 7.4): 1.9466196
• Log P: 3.5141
• 摩尔折射率: 96.1043 cm^3
• 极化性: 39.785416 Å^3
• 极化表面积: 40.16 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 4.313

产品相关信息

• 纯度: 95%