2-methyl-1-phenylpropan-2-amine hydrochloride

• ChemBase编号: 153392
• 分子式: C10H16ClN
• 平均质量: 185.69374
• 单一同位素质量: 185.0971272
• SMILES: CC(C)(Cc1ccccc1)N.Cl
• Canonical SMILES: CC(Cc1ccccc1)(N)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H
• InChIKey: NCAIGTHBQTXTLR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-1-phenylpropan-2-amine hydrochloride
• IUPAC传统名: phentermine hydrochloride
• 别名: α,α-二甲基苯乙胺 盐酸盐; α,α-Dimethylbenzeneethanamine Hydrochloride; 1,1-Dimethyl-2-phenylethylamine Hydrochloride; 1-Phenyl-2-methyl-2-propylamine Hydrochloride; Duromine Hydrochloride; Inoamin Hydrochloride; Ionamin Hydrochloride; Linyl Hydrochloride; Lipopill Hydrochloride; Lonamin Hydrochloride; Mirapront Hydrochloride; Normephentermine Hydrochloride; Omnibex Hydrochloride; Phenyl-tert-butylamine Hydrochloride; Wilpo Hydrochloride; Phentermine Hydrochloride; 2-Methyl-1-phenylpropan-2-amine hydrochloride; α,α-Dimethylphenethylamine hydrochloride; Phentermine hydrochloride

登记号

• CAS号: 1197-21-3
• EC号: 214-821-9
• MDL号: MFCD00058289
• PubChem SID: 162247531; 24898963
• PubChem CID: 70969

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.94001377
• LogD (pH = 7.4): -0.5458378
• Log P: 2.0848272
• 摩尔折射率: 48.3434 cm^3
• 极化性: 19.211359 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: SH4950000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25
• 安全公开号: 22-26-36/37-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• RID/ADR: UN 2811 6.1/PG 3
• 毒品管制信息: USDEA Schedule IV; Home Office Schedule 3; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

产品相关信息

• Empirical Formula (Hill Notation): C10H15N · HCl

详细说明

Sigma Aldrich - P8653

Biochem/physiol Actions
Anorectic agent that is a releaser of dopamine.

Toronto Research Chemicals - P318830

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

参考文献

• Masheb, R., et al.: Obesity Res., 8, 638 (2000)
• Fernandez-Lopez, J., et al.: Drugs, 62, 915 (2000)
• Abelson, P., et al.: Science, 304, 1413 (2000)
• Padwal, R., et al.: Lancet, 369, 71 (2000)