N-methoxy-N-methyl-3-(trifluoromethyl)benzamide

• ChemBase编号: 41973
• 分子式: C10H10F3NO2
• 平均质量: 233.1871096
• 单一同位素质量: 233.06636323
• SMILES: c1ccc(cc1C(=O)N(C)OC)C(F)(F)F
• Canonical SMILES: CON(C(=O)c1cccc(c1)C(F)(F)F)C
• InChI: InChI=1S/C10H10F3NO2/c1-14(16-2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3
• InChIKey: PAXXRRIUUCZPEU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methoxy-N-methyl-3-(trifluoromethyl)benzamide
• IUPAC传统名: N-methoxy-N-methyl-3-(trifluoromethyl)benzamide
• 别名: N-methoxy-N-methyl-3-(trifluoromethyl)benzenecarboxamide; 3-[Methoxy(methyl)carbamoyl]benzotrifluoride; N-Methoxy-N-methyl-3-(trifluoromethyl)benzamide; N-Methoxy-N-methyl-3-(trifluoromethyl)-benzenecarboxamide

登记号

• CAS号: 116332-62-8
• MDL号: MFCD08689665
• PubChem SID: 162046736
• PubChem CID: 14069349

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.3001897
• LogD (pH = 7.4): 2.3001897
• Log P: 2.3001897
• 摩尔折射率: 52.2537 cm^3
• 极化性: 18.822897 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: Oil

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: >95%