1-[(4-chlorophenyl)methyl]-1-[4-(propan-2-yl)phenyl]hydrazine hydrochloride

• ChemBase编号: 164136
• 分子式: C16H20Cl2N2
• 平均质量: 311.2494
• 单一同位素质量: 310.10035401
• SMILES: c1(N(Cc2ccc(cc2)Cl)N)ccc(cc1)C(C)C.Cl
• Canonical SMILES: Clc1ccc(cc1)CN(c1ccc(cc1)C(C)C)N.Cl
• InChI: InChI=1S/C16H19ClN2.ClH/c1-12(2)14-5-9-16(10-6-14)19(18)11-13-3-7-15(17)8-4-13;/h3-10,12H,11,18H2,1-2H3;1H
• InChIKey: FVMVSRHYHAREGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(4-chlorophenyl)methyl]-1-[4-(propan-2-yl)phenyl]hydrazine hydrochloride
• IUPAC传统名: 1-[(4-chlorophenyl)methyl]-1-(4-isopropylphenyl)hydrazine hydrochloride
• 别名: 1-[(4-Chlorophenyl)methyl]-1-[4-(1-methylethyl)phenyl]hydrazine Monohydrochloride; 1-(4-Chlorobenzyl)-1-[4-(isopropyl)phenyl]hydrazine, Hydrochloride

登记号

• CAS号: 113243-68-8
• PubChem SID: 162258271
• PubChem CID: 19752394

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.4586473
• LogD (pH = 7.4): 4.972581
• Log P: 4.9853315
• 摩尔折射率: 93.1782 cm^3
• 极化性: 31.645145 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ethanol; Methanol
• 外观: Pink Solid
• 熔点: 181-182°C