(2-fluorophenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

• ChemBase编号: 274824
• 分子式: C10H11ClFN3O
• 平均质量: 243.6652432
• 单一同位素质量: 243.05746789
• SMILES: c1(nc(on1)C)C(c1c(F)cccc1)N.Cl
• Canonical SMILES: Cc1onc(n1)C(c1ccccc1F)N.Cl
• InChI: InChI=1S/C10H10FN3O.ClH/c1-6-13-10(14-15-6)9(12)7-4-2-3-5-8(7)11;/h2-5,9H,12H2,1H3;1H
• InChIKey: CSOOWMUMKFKOLY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-fluorophenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
• IUPAC传统名: (2-fluorophenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
• 别名: (2-fluorophenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

登记号

• MDL号: MFCD18838991
• PubChem SID: 164330734
• PubChem CID: 54593388

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.45114294
• LogD (pH = 7.4): 1.5765321
• Log P: 1.6516699
• 摩尔折射率: 53.6732 cm^3
• 极化性: 19.871983 Å^3
• 极化表面积: 64.94 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 225 - 227°C
• 疏水性(logP): 0.206

产品相关信息

• 纯度: 95%