2-fluoro-N-methylaniline

• ChemBase编号: 94221
• 分子式: C7H8FN
• 平均质量: 125.1435232
• 单一同位素质量: 125.06407748
• SMILES: N(c1c(cccc1)F)C
• Canonical SMILES: CNc1ccccc1F
• InChI: InChI=1S/C7H8FN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
• InChIKey: LDVAIJZDACHGML-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-fluoro-N-methylaniline
• IUPAC传统名: 2-fluoro-N-methylaniline
• 别名: N-Methyl-2-fluoroaniline; o-Fluoro-N-methylaniline; 2-Fluoro-N-methylbenzenamine; N-(2-Fluorophenyl)methylamine; N-Methyl-2-fluoroaniline; N-Methyl-o-fluoroaniline; (2-Fluorophenyl)methylamine; 2-Fluoro-N-methylaniline

登记号

• CAS号: 1978-38-7
• MDL号: MFCD00028030
• PubChem SID: 162080876
• PubChem CID: 2759010

理论计算性质

• Acid pKa: 19.44044
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.5867006
• LogD (pH = 7.4): 1.5887003
• Log P: 1.5887259
• 摩尔折射率: 36.4682 cm^3
• 极化性: 12.966618 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 密度: 1.10
• 疏水性(logP): 2.086

安全信息

• 保存注意事项: Flammable/Irritant

产品相关信息

• 纯度: 95%; 95+%

详细说明

Toronto Research Chemicals - F593500

An aniline derivative used in the preparation of various pharmaceutical compounds such as muscarinic agonists.