N-(3-chloropropyl)-3,4-dimethoxy-N-methyl-Benzeneethanaminium ethanedioate (1:1)
[CAS# 85226-25-1]

Identification

• Name: N-(3-chloropropyl)-3,4-dimethoxy-N-methyl-Benzeneethanaminium ethanedioate (1:1)
• Synonyms: (3-chloropropyl)(3,4-dimethoxyphenethyl)methylammonium hydrogen oxalate
• Molecular Formula: C₁₆H₂₃ClNO₆
• Molecular Weight: 360.81
• CAS Registry Number: 85226-25-1
• EINECS: 286-396-8
• SMILES: COc1cc(ccc1OC)CC[NH+](C)CCCCl.[O-]C(=O)C([O-])=O
• InChI: 1S/C14H22ClNO2.C2H2O4/c1-16(9-4-8-15)10-7-12-5-6-13(17-2)14(11-12)18-3;3-1(4)2(5)6/h5-6,11H,4,7-10H2,1-3H3;(H,3,4)(H,5,6)/p-1
• InChIKey: RHWJLYYZGLGWDX-UHFFFAOYSA-M

Properties

• Boiling point: 535.7°C at 760 mmHg (Cal.)
• Flash point: 277.8°C (Cal.)