2-[(2H3)methylamino]-1-phenylpropan-1-one hydrochloride

• ChemBase编号: 172715
• 分子式: C10H14ClNO
• 平均质量: 199.67726
• 单一同位素质量: 199.07639175
• SMILES: c1ccc(cc1)C(=O)C(NC)C.Cl
• Canonical SMILES: CNC(C(=O)c1ccccc1)C.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,11H,1-2H3;1H
• InChIKey: LTJXNCHDKYZOSY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(^2H₃)methylamino]-1-phenylpropan-1-one hydrochloride
• IUPAC传统名: 2-[(^2H₃)methylamino]-1-phenylpropan-1-one hydrochloride
• 别名: 2-(Methylamino-d3)-1-phenyl-1-propanone Hydrochloride; (+/-)-Methcathinone-d3 Hydrochloride; Ephedrone-d3 Hydrochloride; Monomethylpropion-d3 Hydrochloride; UR 1431-d3 Hydrchloride; Methcathinone-d3 Hydrochloride

登记号

• PubChem SID: 164228625
• PubChem CID: 71749982

理论计算性质

• Acid pKa: 18.516659
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.8403567
• LogD (pH = 7.4): 0.8932843
• Log P: 1.6081082
• 摩尔折射率: 49.089 cm^3
• 极化性: 19.285158 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 181-184°C (dec.)

安全信息

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

详细说明

Toronto Research Chemicals - M225927

Labelled Methcathinone. Controlled substance (stimulant).

参考文献

• Markantonis, S.L., et al.: J. Pharm. Pharmacol., 38, 515 (1986)
• Zhingel, K.Y., et al.: J. Forensic Sci., 36, 915 (1986)