1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride

• ChemBase编号: 294737
• 分子式: C12H23BClNO2
• 平均质量: 259.58052
• 单一同位素质量: 259.15103706
• SMILES: CC1(C)C(C)(C)OB(C2=CCN(C)CC2)O1.Cl
• Canonical SMILES: CN1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.Cl
• InChI: InChI=1S/C12H22BNO2.ClH/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10;/h6H,7-9H2,1-5H3;1H
• InChIKey: UFEWYKAQBPBEFV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride
• IUPAC传统名: 1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine hydrochloride
• 别名: 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride

登记号

• CAS号: 1462950-92-0
• PubChem SID: 180680268
• PubChem CID: 72206660

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.7884339
• LogD (pH = 7.4): 1.016269
• Log P: 1.8664
• 摩尔折射率: 62.6592 cm^3
• 极化性: 26.0337 Å^3
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%