1-(1,3-Benzodioxol-5-yl)-N-methylpropan-2-amine hydrochloride
[CAS# 64057-70-1]

Identification

• Classification: Analytical chemistry >> Standard >> Forensic and veterinary standards
• Name: 1-(1,3-Benzodioxol-5-yl)-N-methylpropan-2-amine hydrochloride
• Synonyms: 1-(1,3-Benzodioxol-5-Yl)-N-Methyl-Propan-2-Amine Hydrochloride; [2-(1,3-Benzodioxol-5-Yl)-1-Methyl-Ethyl]-Methyl-Amine Hydrochloride; 1,3-Benzodioxole-5-Ethanamine, N,.Alpha.-Dimethyl-, Hydrochloride
• Molecular Formula: C₁₁H₁₆ClNO₂
• Molecular Weight: 229.71
• CAS Registry Number: 64057-70-1
• SMILES: [H+].C1=C(C=CC2=C1OCO2)CC(NC)C.[Cl-]
• 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

Properties

• Boiling point: 283.4°C at 760 mmHg (Cal.)
• Flash point: 113.2°C (Cal.)
• solubility: Soluble to 100 mM in water

References

• (1): Hilary A. S. Buchanan, William J. Kerr, Wolfram Meier-Augenstein and Niamh Nic Daéid. Organic impurities, stable isotopes, or both: A comparison of instrumental and pattern recognition techniques for the profiling of 3,4-methylenedioxymethamphetamine, Anal. Methods, 2011, 3, 2279.