4-[(2-butylhydrazin-1-yl)methyl]-N,N-dimethylaniline dihydrochloride

• ChemBase编号: 101816
• 分子式: C13H25Cl2N3
• 平均质量: 294.2637
• 单一同位素质量: 293.14255318
• SMILES: c1(N(C)C)ccc(cc1)CNNCCCC.Cl.Cl
• Canonical SMILES: CCCCNNCc1ccc(cc1)N(C)C.Cl.Cl
• InChI: InChI=1S/C13H23N3.2ClH/c1-4-5-10-14-15-11-12-6-8-13(9-7-12)16(2)3;;/h6-9,14-15H,4-5,10-11H2,1-3H3;2*1H
• InChIKey: RGEUDUOFTRQWHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(2-butylhydrazin-1-yl)methyl]-N,N-dimethylaniline dihydrochloride
• IUPAC传统名: 4-[(2-butylhydrazin-1-yl)methyl]-N,N-dimethylaniline dihydrochloride
• 别名: 4-[(2-butylhydrazino)methyl]-N,N-dimethylaniline dihydrochloride

登记号

• PubChem SID: 162105666
• PubChem CID: 71300159

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.8477149
• LogD (pH = 7.4): 2.5497084
• Log P: 2.5699778
• 摩尔折射率: 92.138 cm^3
• 极化性: 27.245403 Å^3
• 极化表面积: 27.3 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true