4-[[6-(4-Carbamimidoylphenyl)-2-Methyl-3-Oxopyridazine-4-Carbonyl]-Methylamino]Cyclohexane-1-Carboxylic Acid
[CAS# 150594-88-0]

Identification

• Name: 4-[[6-(4-Carbamimidoylphenyl)-2-Methyl-3-Oxopyridazine-4-Carbonyl]-Methylamino]Cyclohexane-1-Carboxylic Acid
• Synonyms: 4-[[6-(4-Carbamimidoylphenyl)-2-Methyl-3-Oxo-Pyridazine-4-Carbonyl]-Methyl-Amino]Cyclohexane-1-Carboxylic Acid; 4-[[[6-(4-Carbamimidoylphenyl)-2-Methyl-3-Oxo-4-Pyridazinyl]-Oxomethyl]-Methylamino]-1-Cyclohexanecarboxylic Acid; 4-[[6-(4-Amidinophenyl)-3-Keto-2-Methyl-Pyridazine-4-Carbonyl]-Methyl-Amino]Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₂₁H₂₅N₅O₄
• Molecular Weight: 411.46
• CAS Registry Number: 150594-88-0
• SMILES: C3=C(C1=NN(C(=O)C(=C1)C(=O)N(C2CCC(CC2)C(=O)O)C)C)C=CC(=C3)C(=N)N
• InChI: 1S/C21H25N5O4/c1-25(15-9-7-14(8-10-15)21(29)30)19(27)16-11-17(24-26(2)20(16)28)12-3-5-13(6-4-12)18(22)23/h3-6,11,14-15H,7-10H2,1-2H3,(H3,22,23)(H,29,30)
• InChIKey: WHLXSPFASDAHOU-UHFFFAOYSA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 648.561°C at 760 mmHg (Cal.)
• Flash point: 346.037°C (Cal.)