1-(3-fluorophenyl)ethan-1-amine

• ChemBase编号: 11958
• 分子式: C8H10FN
• 平均质量: 139.1701032
• 单一同位素质量: 139.07972755
• SMILES: C(C)(N)c1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)C(N)C
• InChI: InChI=1S/C8H10FN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
• InChIKey: ASNVMKIDRJZXQZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(3-fluorophenyl)ethan-1-amine
• IUPAC传统名: 1-(3-fluorophenyl)ethanamine
• 别名: 1-(3-Fluorophenyl)ethylamine; 1-(3-Fluorophenyl)-1-ethanamine; 1-(3-Fluorophenyl)ethanamine; 3-Fluoro-α-methylbenzenemethanamine; m-Fluoro-α-methylbenzylamine; 1-(3-Fluorophenyl)ethylamine; 3-Fluoro-alpha-methylbenzylamine 97%; 1-(3-fluorophenyl)ethanamine

登记号

• CAS号: 74788-45-7
• MDL号: MFCD04038308
• PubChem SID: 160975265
• PubChem CID: 2782362

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.3357925
• LogD (pH = 7.4): -0.4495571
• Log P: 1.6582912
• 摩尔折射率: 39.1666 cm^3
• 极化性: 15.180493 Å^3
• 极化表面积: 26.02 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

• 熔点: 190 - 191°C
• 沸点: 145°C
• 闪点: 68°C
• 密度: 1.059
• 疏水性(logP): 1.546

安全信息

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

产品相关信息

• 纯度: 95%; 97%

详细说明

Toronto Research Chemicals - F595560

1-(3-Fluorophenyl)ethylamine is a fluorinated arylamine used in the preparation of compounds with anticonvulsant activity.

参考文献

• Ho, B. et al.: Eur. J. Med. Chem., 36, 265 (2001)