tert-butyl 2-(2-ethoxyphenoxymethyl)morpholine-4-carboxylate

• ChemBase编号: 163244
• 分子式: C18H27NO5
• 平均质量: 337.41068
• 单一同位素质量: 337.18892297
• SMILES: c1cccc(c1OCC)OCC1CN(CCO1)C(=O)OC(C)(C)C
• Canonical SMILES: CCOc1ccccc1OCC1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C18H27NO5/c1-5-21-15-8-6-7-9-16(15)23-13-14-12-19(10-11-22-14)17(20)24-18(2,3)4/h6-9,14H,5,10-13H2,1-4H3
• InChIKey: FQZIJLMLSFGBFD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 2-(2-ethoxyphenoxymethyl)morpholine-4-carboxylate
• IUPAC传统名: tert-butyl 2-(2-ethoxyphenoxymethyl)morpholine-4-carboxylate
• 别名: (+/-)-2-N-tert-Butoxycarbonyl-(o-ethoxyphenoxymethyl)morpholine; N-tert-Butoxycarbonyl Catatrol; N-tert-Butoxycarbonyl Vicilan; N-tert-Butoxycarbonyl Viloxazin; rac N-tert-Butoxycarbonyl Viloxazine

登记号

• PubChem SID: 162257379
• PubChem CID: 71314355

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.7747674
• LogD (pH = 7.4): 2.7747674
• Log P: 2.7747674
• 摩尔折射率: 90.1972 cm^3
• 极化性: 35.669624 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate; Hexane
• 外观: Light Yellow Oil

详细说明

Toronto Research Chemicals - B690510

Protected Viloxazine.