(2H5)phenylhydrazine

• ChemBase编号: 176586
• 分子式: C6H8N2
• 平均质量: 108.14112
• 单一同位素质量: 108.06874827
• SMILES: c1cccc(c1)NN
• Canonical SMILES: NNc1ccccc1
• InChI: InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
• InChIKey: HKOOXMFOFWEVGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₅)phenylhydrazine
• IUPAC传统名: (^2H₅)phenylhydrazine
• 别名: Phenyl-d5-hydrazine Monohydrochloride; Phenylhydrazine-d5 Hydrochloride

登记号

• CAS号: 125687-18-5
• PubChem SID: 164232496
• PubChem CID: 12998543

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.1338776
• LogD (pH = 7.4): 1.3610642
• Log P: 1.3648884
• 摩尔折射率: 35.7647 cm^3
• 极化性: 12.928225 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P335082

A labelled hydrazine derivative. Used in the synthesis of Verdazyl.

参考文献

• Hall, R.A., et al.: Eur. J. Pharm., 135, 193 (1987)