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

• ChemBase编号: 62894
• 分子式: C8H14ClN3O2
• 平均质量: 219.66866
• 单一同位素质量: 219.07745438
• SMILES: c1(nc(no1)C)C1(OCCNC1)C.Cl
• Canonical SMILES: CC1(CNCCO1)c1nc(no1)C.Cl
• InChI: InChI=1S/C8H13N3O2.ClH/c1-6-10-7(13-11-6)8(2)5-9-3-4-12-8;/h9H,3-5H2,1-2H3;1H
• InChIKey: QYBOUHHTMAYKOZ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD21606154
• PubChem SID: 162028633
• PubChem CID: 71298886

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.9262373
• LogD (pH = 7.4): -0.26029
• Log P: 0.14710954
• 摩尔折射率: 47.4066 cm^3
• 极化性: 17.959316 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

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false