[2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine

• ChemBase编号: 122144
• 分子式: C8H14N2O
• 平均质量: 154.20956
• 单一同位素质量: 154.11061308
• SMILES: n1oc(c(c1C)CCNC)C
• Canonical SMILES: CNCCc1c(C)noc1C
• InChI: InChI=1S/C8H14N2O/c1-6-8(4-5-9-3)7(2)11-10-6/h9H,4-5H2,1-3H3
• InChIKey: WYNOJPSYWAUXIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine
• IUPAC传统名: [2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine
• 别名: 2-(3,5-dimethylisoxazol-4-yl)-N-methylethanamine

登记号

• PubChem SID: 162216497
• PubChem CID: 16394815

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.6617174
• LogD (pH = 7.4): -1.5912097
• Log P: 0.51573277
• 摩尔折射率: 45.2442 cm^3
• 极化性: 16.80933 Å^3
• 极化表面积: 38.06 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true