3-chloro-6-hydrazinyl-4,5-dimethylpyridazine

• ChemBase编号: 238846
• 分子式: C6H9ClN4
• 平均质量: 172.61546
• 单一同位素质量: 172.05157399
• SMILES: n1c(c(c(c(n1)Cl)C)C)NN
• Canonical SMILES: NNc1nnc(c(c1C)C)Cl
• InChI: InChI=1S/C6H9ClN4/c1-3-4(2)6(9-8)11-10-5(3)7/h8H2,1-2H3,(H,9,11)
• InChIKey: BTWQGBKWNXRDFA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-chloro-6-hydrazinyl-4,5-dimethylpyridazine
• IUPAC传统名: 3-chloro-6-hydrazinyl-4,5-dimethylpyridazine
• 别名: 3-chloro-6-hydrazinyl-4,5-dimethylpyridazine

登记号

• MDL号: MFCD19201374
• PubChem SID: 164294756
• PubChem CID: 12648042

理论计算性质

• Acid pKa: 18.342812
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.3438593
• LogD (pH = 7.4): 1.6083032
• Log P: 1.6129682
• 摩尔折射率: 49.7331 cm^3
• 极化性: 16.622408 Å^3
• 极化表面积: 63.83 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.742

产品相关信息

• 纯度: 95%