1-[(6-hydrazinylpyridin-3-yl)sulfonyl]-4-methylpiperazine

• ChemBase编号: 232391
• 分子式: C10H17N5O2S
• 平均质量: 271.33928
• 单一同位素质量: 271.11029581
• SMILES: S(=O)(=O)(N1CCN(CC1)C)c1cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C
• InChI: InChI=1S/C10H17N5O2S/c1-14-4-6-15(7-5-14)18(16,17)9-2-3-10(13-11)12-8-9/h2-3,8H,4-7,11H2,1H3,(H,12,13)
• InChIKey: LIVHBFWELMRSAR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(6-hydrazinylpyridin-3-yl)sulfonyl]-4-methylpiperazine
• IUPAC传统名: 1-(6-hydrazinylpyridin-3-ylsulfonyl)-4-methylpiperazine
• 别名: [5-(4-Methyl-piperazine-1-sulfonyl)-pyridin-2-yl]-hydrazine

登记号

• MDL号: MFCD04612888
• PubChem SID: 164288301
• PubChem CID: 2461353

理论计算性质

• Acid pKa: 18.845753
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): -0.9701568
• LogD (pH = 7.4): -0.37382412
• Log P: -0.357824
• 摩尔折射率: 71.9227 cm^3
• 极化性: 27.322525 Å^3
• 极化表面积: 91.56 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 168 - 170°C
• 疏水性(logP): 0.676

产品相关信息

• 纯度: 95%