N,N-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

• ChemBase编号: 291121
• 分子式: C13H21BN2O2
• 平均质量: 248.12904
• 单一同位素质量: 248.16960832
• SMILES: CC1(C)C(C)(C)OB(c2cnc(N(C)C)cc2)O1
• Canonical SMILES: CN(c1ccc(cn1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-8-11(15-9-10)16(5)6/h7-9H,1-6H3
• InChIKey: KSAMKARQFVLMFC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC传统名: N,N-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• 别名: N,N-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine; N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine

登记号

• CAS号: 1036991-24-8
• MDL号: MFCD11975406
• PubChem SID: 180676652
• PubChem CID: 51072189

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.3344235
• LogD (pH = 7.4): 3.5479338
• Log P: 3.5515
• 摩尔折射率: 68.2983 cm^3
• 极化性: 27.923056 Å^3
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%