2-(methylamino)-1-phenylpropan-1-one hydrochloride

• ChemBase编号: 130668
• 分子式: C10H14ClNO
• 平均质量: 199.67726
• 单一同位素质量: 199.07639175
• SMILES: CC(C(=O)c1ccccc1)NC.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-(methylamino)-1-phenylpropan-1-one hydrochloride
• IUPAC传统名: methcathinone hydrochloride
• 别名: 2-(甲氨基)苯丙酮 盐酸盐 溶液; 2-(甲氨基)苯丙酮 盐酸盐; 2-(Methylamino)propiophenone hydrochloride solution; 1-Propanone, 2-(methylamino)-1-phenyl-, hydrochloride; Methcathinone hydrochloride; dl-Ephedrone hydrochloride; 2-(Methylamino)propiophenone hydrochloride; 2-(Methylamino)-1-phenyl-1-propanone Hydrochloride; (+/-)-Methcathinone Hydrochloride; Ephedrone Hydrochloride; Monomethylpropion Hydrochloride; UR 1431 Hydrochloride; Methcathinone Hydrochloride

登记号

• CAS号: 49656-78-2
• EC号: 200-659-6
• MDL号: MFCD00012380
• PubChem SID: 24897272; 24896972; 162224946
• PubChem CID: 458517

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: 19.285154 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: Methanol
• 外观: Off-White Solid
• 熔点: 179-184°C
• 闪点: 11 °C; 51.8 °F

安全信息

• 保存条件: Controlled Substance, -20°C Freezer
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1230
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-23/24/25-39/23/24/25; 36/37/38
• 安全公开号: 26-36; 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; H315-H319-H335
• GHS警示性声明: P210-P260-P280-P301 + P310-P311; P261-P305 + P351 + P338
• 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
• RID/ADR: UN 1230 3/PG 2
• 毒品管制信息: Home Office Schedule 1; stupéfiant; kontrollierte Droge in Deutschland; USDEA Schedule I; Home Office Schedule 1; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada
• 保存温度: 2-8°C

产品相关信息

• 浓度: 1.0 mg/mL±5% in methanol
• 级别: drug standard

详细说明

Sigma Aldrich - M5037

Biochem/physiol Actions
Potent amphetamine-like stimulant; dimethylpropion metabolite.
Other Notes
Mixture of optical isomers.

Sigma Aldrich - M8536

Other Notes
光学异构体混合物

Toronto Research Chemicals - M225925

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)