methyl(1-phenylpropan-2-yl)amine hydrochloride

• ChemBase编号: 153527
• 分子式: C10H16ClN
• 平均质量: 185.69374
• 单一同位素质量: 185.0971272
• SMILES: CC(Cc1ccccc1)NC.Cl
• Canonical SMILES: CNC(Cc1ccccc1)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H
• InChIKey: TWXDDNPPQUTEOV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC传统名: (+)-N,α-dimethylphenethylamine hydrochloride
• 别名: (±)-1-苯基-2-甲氨基丙烷; (±)-甲基苯丙胺; (±)-去氧麻黄碱 盐酸盐; N,α-Dimethylbenzeneethanamine Hydrochloride; 2-Methylamino-1-phenylpropane Hydrochloride; (+/-)-Methamphetamine Hydrochloride; NSC 169506; NSC 22367; Obesin; Obesine; dl-Desoxyephedrine Hydrochloride; dl-Methamphetamine Hydrochloride; rac Methamphetamine Hydrochloride; (±)-Methamphetamine; (±)-2-(Methylamino)-1-phenylpropane; (±)-Deoxyephedrine hydrochloride

登记号

• CAS号: 300-42-5
• EC号: 206-093-6
• MDL号: MFCD00069952
• PubChem SID: 162247666
• PubChem CID: 9306

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.9906569
• LogD (pH = 7.4): -0.43709657
• Log P: 2.236831
• 摩尔折射率: 48.4798 cm^3
• 极化性: 19.21153 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: SH5075000
• 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: 63-23/24/25
• 安全公开号: 22-36/37/39-45
• GHS危险品标识: GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H300-H311-H319-H330-H361
• GHS警示性声明: P260-P264-P280-P284-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• 毒品管制信息: USDEA Schedule II; Home Office Schedule 2; 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 - D6912

Biochem/physiol Actions
拟交感神经药；比安非他命具有更强的中枢作用。

Toronto Research Chemicals - M258795

A CNS stimulant. Anorexic. In attention deficit disorder with hyperactivity. Controlled substance (stimulant).

参考文献

• Lands, M., et al.: J. Pharmacol. Exp. Ther., 89, 382 (1947)
• Repke, D.B., et al.: J. Pharm. Sci., 67, 1167 (1947)
• Pope, H.G., et al.: J. Clin. Psychiatry, 47, 339 (1947)
• Cho, A.K., et al.: Science, 249, 631 (1947)