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

• ChemBase编号: 157134
• 分子式: C11H18ClN
• 平均质量: 199.72032
• 单一同位素质量: 199.11277726
• SMILES: CCNC(C)Cc1ccccc1.Cl
• Canonical SMILES: CCNC(Cc1ccccc1)C.Cl
• InChI: InChI=1S/C11H17N.ClH/c1-3-12-10(2)9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H
• InChIKey: HFBTZBOJTFIRAS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC传统名: ethylamphetamine hydrochloride
• 别名: DL-N-乙基苯异丙胺 盐酸盐; DL-N-乙基苯异丙胺 盐酸盐 溶液; DL-N-Ethylamphetamine hydrochloride; N-Ethyl-α-methylbenzeneethanamine Hydrochloride; (+/-)-Ethylamphetamine Hydrochloride; (+/-)-N-Ethylamphetamine Hydrochloride; Apetinil Depo; Ethylamphetamine Hydrochloride; MG 19973; N-Ethylamphetamine Hydrochloride; NSC 54938; d,1-N-Ethyl Amphetamine Hydrochloride; dl-N-Ethylamphetamine Hydrochloride; Etilamphetamine Hydrochloride; rac-N-Ethyl Amphetamine Hydrochloride; DL-N-Ethylamphetamine hydrochloride solution

登记号

• CAS号: 16105-78-5
• EC号: 240-270-9; 200-659-6
• MDL号: MFCD01708141
• PubChem SID: 162251271
• PubChem CID: 197941

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.6362952
• LogD (pH = 7.4): -0.13796817
• Log P: 2.593639
• 摩尔折射率: 53.2284 cm^3
• 极化性: 21.058481 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 11 °C; 51.8 °F

安全信息

• RTECS编号: SH6818000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 德国WGK号: 2; 3
• 危险公开号: 11-23/24/25-39/23/24/25; 22
• 安全公开号: 7-16-36/37-45
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H301-H311-H331-H370; H302
• GHS警示性声明: P210-P260-P280-P301 + P310-P311
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 毒品管制信息: USDEA Schedule II; Home Office Schedule 2; regulated under CDSA - not available from Sigma-Aldrich Canada
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.5% (HPLC)
• 浓度: ~1 mg/mL in methanol
• 级别: analytical standard, for drug analysis
• 杂质: ~1.2 mg/L solution
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C11H17N · HCl

详细说明

Sigma Aldrich - 40354

包装
安瓿瓶，含 1.2mL 溶液

Toronto Research Chemicals - E678400

Controlled substance (stimulant). Anorexic.

参考文献

• Tessel, R.E., et al.: Biochem. Pharmacol., 27, 1631 (1978)