(2S,3S)-3,4-dimethyl-2-phenylmorpholine

• ChemBase编号: 176448
• 分子式: C12H17NO
• 平均质量: 191.26948
• 单一同位素质量: 191.13101417
• SMILES: C1CO[C@H]([C@@H](N1C)C)c1ccccc1
• Canonical SMILES: C[C@@H]1N(C)CCO[C@H]1c1ccccc1
• InChI: InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1
• InChIKey: MFOCDFTXLCYLKU-CMPLNLGQSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3S)-3,4-dimethyl-2-phenylmorpholine
• IUPAC传统名: phendimetrazine
• 别名: (2S,3S)-3,4-Dimethyl-2-phenylmorpholine; (2S-trans)-3,4-Dimethyl-2-phenylmorpholine; (+)-Phendimetrazine; Antapentan; Bontril; Mephenmetrazine; NSC 169187; Sedafamen; d-2-Phenyl-3,4-dimethylmorpholine; Phendimetrazine

登记号

• CAS号: 634-03-7
• PubChem SID: 164232358
• PubChem CID: 30487

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.39657155
• LogD (pH = 7.4): 1.9287926
• Log P: 2.1724842
• 摩尔折射率: 57.7642 cm^3
• 极化性: 22.88145 Å^3
• 极化表面积: 12.47 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

• 溶解度: Chloroform
• 外观: Pale Yellow Oil

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

详细说明

Toronto Research Chemicals - P295800

An Amphetamine derivative. Anorexic.Controlled substance (stimulant).

参考文献

• Fernandez-Lopez, J., et al.: Drugs, 62, 915 (2002)
• Padwal, R., et al.: Lancet, 369, 71 (2002)
• Fernstrom, J., et al.: Pharmacol. Therap., 117, 105 (2002)