1-methyl-2-[(4-phenoxyphenyl)methyl]hydrazine hydrochloride

• ChemBase编号: 101826
• 分子式: C14H17ClN2O
• 平均质量: 264.75058
• 单一同位素质量: 264.10294085
• SMILES: O(c1ccc(cc1)CNNC)c1ccccc1.Cl
• Canonical SMILES: CNNCc1ccc(cc1)Oc1ccccc1.Cl
• InChI: InChI=1S/C14H16N2O.ClH/c1-15-16-11-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13;/h2-10,15-16H,11H2,1H3;1H
• InChIKey: XHMJBLMLOQSQNI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-2-[(4-phenoxyphenyl)methyl]hydrazine hydrochloride
• IUPAC传统名: 1-methyl-2-[(4-phenoxyphenyl)methyl]hydrazine hydrochloride
• 别名: 1-methyl-2-(4-phenoxybenzyl)hydrazine hydrochloride

登记号

• PubChem SID: 162105352
• PubChem CID: 71300118

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.2477512
• LogD (pH = 7.4): 2.630415
• Log P: 2.638322
• 摩尔折射率: 90.0766 cm^3
• 极化性: 27.224081 Å^3
• 极化表面积: 33.29 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true