Leonurine
[CAS# 7097-09-8]

Identification

• Name: Leonurine
• Synonyms: 4-Guanidinobutyl 4-Hydroxy-3,5-Dimethoxy-Benzoate; 4-Hydroxy-3,5-Dimethoxybenzoic Acid 4-Guanidinobutyl Ester; 4-Hydroxy-3,5-Dimethoxy-Benzoic Acid 4-Guanidinobutyl Ester
• Molecular Formula: C₁₄H₂₁N₃O₅
• Molecular Weight: 311.34
• CAS Registry Number: 7097-09-8
• SMILES: C1=C(C(OCCCCN=C(N)N)=O)C=C(OC)C(=C1OC)O
• InChI: 1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)
• InChIKey: WNGSUWLDMZFYNZ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 496.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 254.2±31.5°C (Cal.)