4-hydrazinylphenyl 2,2-dimethylpropanoate hydrochloride

• ChemBase编号: 811089
• 分子式: C11H17ClN2O2
• 平均质量: 244.71788
• 单一同位素质量: 244.09785547
• SMILES: Cl.C(=O)(C(C)(C)C)Oc1ccc(cc1)NN
• Canonical SMILES: NNc1ccc(cc1)OC(=O)C(C)(C)C.Cl
• InChI: InChI=1S/C11H16N2O2.ClH/c1-11(2,3)10(14)15-9-6-4-8(13-12)5-7-9;/h4-7,13H,12H2,1-3H3;1H
• InChIKey: JHQIADUGILCEPV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinylphenyl 2,2-dimethylpropanoate hydrochloride
• IUPAC传统名: 4-hydrazinylphenyl 2,2-dimethylpropanoate hydrochloride
• 别名: 2,2-DIMETHYL-PROPIONIC ACID 4-HYDRAZINO-PHENYL ESTER HYDROCHLORIDE

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.568009
• LogD (pH = 7.4): 2.7684252
• Log P: 2.7716858
• 摩尔折射率: 60.5995 cm^3
• 极化性: 22.839666 Å^3
• 极化表面积: 64.35 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%