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

• ChemBase编号: 249118
• 分子式: C7H12ClN3O2
• 平均质量: 205.64208
• 单一同位素质量: 205.06180432
• SMILES: c1(nc(on1)C)C1OCCNC1.Cl
• Canonical SMILES: Cc1onc(n1)C1CNCCO1.Cl
• InChI: InChI=1S/C7H11N3O2.ClH/c1-5-9-7(10-12-5)6-4-8-2-3-11-6;/h6,8H,2-4H2,1H3;1H
• InChIKey: ADQGKSTZYMOJKJ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164305028
• PubChem CID: 71758668

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.0970666
• LogD (pH = 7.4): -0.46914145
• Log P: -0.1218324
• 摩尔折射率: 42.6933 cm^3
• 极化性: 16.136751 Å^3
• 极化表面积: 60.18 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: 191 - 193°C
• 疏水性(logP): -1.229

产品相关信息

• 纯度: 95%