[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine hydrochloride

• ChemBase编号: 130780
• 分子式: C11H16ClNO2
• 平均质量: 229.70324
• 单一同位素质量: 229.08695644
• SMILES: CC(Cc1ccc2c(c1)OCO2)NC.Cl
• Canonical SMILES: CNC(Cc1ccc2c(c1)OCO2)C.Cl
• InChI: InChI=1S/C11H15NO2.ClH/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10;/h3-4,6,8,12H,5,7H2,1-2H3;1H
• InChIKey: LUWHVONVCYWRMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine hydrochloride
• IUPAC传统名: MDMA hydrochloride
• 别名: DL-3,4-亚甲二氧基甲基苯异丙胺 盐酸盐 溶液; DL-MDMA 盐酸盐 溶液; XTC 盐酸盐 溶液; (±)-3,4-亚甲二氧基甲基苯异丙胺 盐酸盐 溶液; (±)-MDMA 盐酸盐; DL-3,4-亚甲二氧基甲基苯异丙胺; DL-MDMA 盐酸盐; XTC 盐酸盐; 摇头丸; (±)-3,4-亚甲二氧基甲基苯异丙胺 盐酸盐; (±)-MDMA hydrochloride; DL-3,4-Methylenedioxymethamphetamine; DL-MDMA hydrochloride; Ecstasy; XTC hydrochloride; DL-3,4-Methylenedioxymethamphetamine hydrochloride solution; DL-MDMA hydrochloride solution; XTC hydrochloride solution; (±)-3,4-Methylenedioxymethamphetamine hydrochloride solution; (±)-3,4-Methylenedioxymethamphetamine hydrochloride; N,α-Dimethyl-1,3-benzodioxole-5-ethanamine Hydrochloride; 3,4-Methylenedioxymethylamphetamine Hydrochloride; Ecstasy Hydrochloride; MDMA Hydrochloride; NSC 168383; 3,4-Methylenedioxy Methamphetamine Hydrochloride

登记号

• CAS号: 64057-70-1
• MDL号: MFCD00079444
• PubChem SID: 162225058; 24897006; 24896969
• PubChem CID: 71285

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.3648726
• LogD (pH = 7.4): -0.76064247
• Log P: 1.8600644
• 摩尔折射率: 54.2467 cm^3
• 极化性: 21.603132 Å^3
• 极化表面积: 30.49 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: H2O: soluble
• 闪点: 11 °C; 51.8 °F

安全信息

• RTECS编号: SH5700000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 1230; 2811
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3; 6.1
• 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; 25-36/37/38
• 安全公开号: 16-36/37-45; 26-45
• GHS危险品标识: GHS02; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H331-H370; H301-H315-H319-H335
• GHS警示性声明: P210-P260-P280-P301 + P310-P311; P261-P301 + P310-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1230 3/PG 2; UN 2811 6.1/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; USDEA Schedule I; 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; 1.0 mg/mL±5% in methanol
• 级别: analytical standard, for drug analysis
• 适用性: corresponds for H-NMR
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C11H15NO2 · HCl

详细说明

Sigma Aldrich - M6403

Biochem/physiol Actions
迷幻剂；从轴突终末释放羟色胺和多巴胺；选择性血清素能神经毒素。

Sigma Aldrich - 18087

包装
安瓿瓶，含 1.2mL 溶液

Sigma Aldrich - 65963

Biochem/physiol Actions
迷幻剂；从轴突终末释放羟色胺和多巴胺；选择性血清素能神经毒素。

Toronto Research Chemicals - M303985

3,4-Methylenedioxymethamphetamine (MDMA) is an Entactogen; It is the N-methyl derivative of MDA. The (S)-form of MDMA possesses more potent CNS activity than the (R) form of MDMA.MDMA is controlled substance (hallucinogen).

参考文献

• Ellison, G., et al.: Science, 201, 276 (1978)
• Escubedo, E., et al.: J. Pharmacol. Exp. Ther., 315, 658 (1978)
• Fayuk, D., et al.: J. Physiol., 566, 759 (1978)
• Tretter, L., et al.: Neurochem. Int., 50, 139 (1978)