Bufotenine Monooxalate
[CAS# 2963-79-3]

Identification

• Name: Bufotenine Monooxalate
• Synonyms: 2-(5-Hydroxyindol-1-Ium-3-Yl)Ethyl-Dimethyl-Ammonium; Oxalate; 2-(5-Hydroxy-3-Indol-1-Iumyl)Ethyl-Dimethylammonium; Oxalate; Ethanedioate; 2-(5-Hydroxyindol-1-Ium-3-Yl)Ethyl-Dimethyl-Azanium
• Molecular Formula: C₁₄H₁₈N₂O₅
• Molecular Weight: 294.31
• CAS Registry Number: 2963-79-3
• SMILES: C1=C(C=CC2=C1C(=C[NH2+]2)CC[NH+](C)C)O.O=C(C(=O)[O-])[O-]
• InChI: 1S/C12H16N2O.C2H2O4/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;3-1(4)2(5)6/h3-4,7-8,13,15H,5-6H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: DYESHNNFAFXIKV-UHFFFAOYSA-N

Properties

• Boiling point: 392.8°C at 760 mmHg (Cal.)
• Flash point: 191.3°C (Cal.)