2-[2-(2H5)ethoxyphenoxymethyl]morpholine hydrochloride

• ChemBase编号: 179498
• 分子式: C13H20ClNO3
• 平均质量: 273.7558
• 单一同位素质量: 273.11317119
• SMILES: Cl.c1cccc(c1OCC)OCC1CNCCO1
• Canonical SMILES: CCOc1ccccc1OCC1CNCCO1.Cl
• InChI: InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H
• InChIKey: HJOCKFVCMLCPTP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2-(^2H₅)ethoxyphenoxymethyl]morpholine hydrochloride
• IUPAC传统名: 2-[2-(^2H₅)ethoxyphenoxymethyl]morpholine hydrochloride
• 别名: (+/-)-2-[(o-Ethoxy-d5)phenoxymethyl]morpholine; Catatrol-d5; ICI 58834-d5; Vicilan-d5; Viloxazin-d5 Hydrochloride; Vivalan-d5; Vivarint-d5; Vivilan-d5; rac Viloxazine-d5 Hydrochloride

登记号

• PubChem SID: 164235408
• PubChem CID: 71752942

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.0954765
• LogD (pH = 7.4): 0.6339135
• Log P: 1.4915744
• 摩尔折射率: 65.2021 cm^3
• 极化性: 26.06331 Å^3
• 极化表面积: 39.72 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Off-White Solid
• 熔点: 174-176°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - V312442

Labelled Viloxazine (V312440). Antidepressant.

参考文献

• Howe, R., et al.: J. Med. Chem., 19, 1074 (1976)
• Pinder, R.M., et al.: Drugs, 13, 401 (1976)