{[4-(difluoromethoxy)phenyl]methyl}hydrazine dihydrochloride

• ChemBase编号: 15553
• 分子式: C8H12Cl2F2N2O
• 平均质量: 261.0964864
• 单一同位素质量: 260.02947481
• SMILES: c1cc(ccc1OC(F)F)CNN.Cl.Cl
• Canonical SMILES: NNCc1ccc(cc1)OC(F)F.Cl.Cl
• InChI: InChI=1S/C8H10F2N2O.2ClH/c9-8(10)13-7-3-1-6(2-4-7)5-12-11;;/h1-4,8,12H,5,11H2;2*1H
• InChIKey: YBECYCQAPXNEEV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[4-(difluoromethoxy)phenyl]methyl}hydrazine dihydrochloride
• IUPAC传统名: {[4-(difluoromethoxy)phenyl]methyl}hydrazine dihydrochloride
• 别名: [4-(Difluoromethoxy)benzyl]hydrazine dihydrochloride

登记号

• MDL号: MFCD06800563
• PubChem SID: 160978860
• PubChem CID: 45074963

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.4790113
• LogD (pH = 7.4): 1.6801699
• Log P: 1.6834458
• 摩尔折射率: 55.9804 cm^3
• 极化性: 17.03927 Å^3
• 极化表面积: 47.28 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false