(E)-N,N'-bis(2,4-dimethylphenyl)-N-methylmethanimidamide hydrochloride

• ChemBase编号: 162443
• 分子式: C18H23ClN2
• 平均质量: 302.84162
• 单一同位素质量: 302.15497643
• SMILES: c1c(ccc(c1C)N(/C=N/c1ccc(cc1C)C)C)C.Cl
• Canonical SMILES: Cc1ccc(c(c1)C)/N=C/N(c1ccc(cc1C)C)C.Cl
• InChI: InChI=1S/C18H22N2.ClH/c1-13-6-8-17(15(3)10-13)19-12-20(5)18-9-7-14(2)11-16(18)4;/h6-12H,1-5H3;1H/b19-12+
• InChIKey: NUHCFFJDKBLRIZ-NNTHFVATSA-N

名称和登记号

名称

• IUPAC标准名: (E)-N,N'-bis(2,4-dimethylphenyl)-N-methylmethanimidamide hydrochloride
• IUPAC传统名: (E)-N,N'-bis(2,4-dimethylphenyl)-N-methylmethanimidamide hydrochloride
• 别名: N,N’-Bis(2,4-dimethylphenyl)-N-methylmethanimidamide Hydrochloride; N,N'-Bis(2,4-xylyl)-N-methylformamidine Hydrochloride

登记号

• PubChem SID: 162256578
• PubChem CID: 71314122

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.7081785
• LogD (pH = 7.4): 4.5789266
• Log P: 5.448634
• 摩尔折射率: 89.5757 cm^3
• 极化性: 32.56622 Å^3
• 极化表面积: 15.6 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Water
• 外观: Pale Brown Solid
• 熔点: 70-72°C

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - B591300

Amitraz (A633320) impurity.