3-Amino-4-[[(Z)-4-[4-(Piperidin-1-Ylmethyl)Pyridin-2-Yl]Oxybut-2-Enyl]Amino]Cyclobut-3-Ene-1,2-Dione
[CAS# 103922-33-4]

Identification

• Name: 3-Amino-4-[[(Z)-4-[4-(Piperidin-1-Ylmethyl)Pyridin-2-Yl]Oxybut-2-Enyl]Amino]Cyclobut-3-Ene-1,2-Dione
• Synonyms: 3-Amino-4-[[(Z)-4-[[4-(1-Piperidylmethyl)-2-Pyridyl]Oxy]But-2-Enyl]Amino]Cyclobut-3-Ene-1,2-Dione; 3-Amino-4-[[(Z)-4-[[4-(Piperidinomethyl)-2-Pyridyl]Oxy]But-2-Enyl]Amino]Cyclobut-3-Ene-1,2-Quinone; Pibutidine
• Molecular Formula: C₁₉H₂₄N₄O₃
• Molecular Weight: 356.42
• CAS Registry Number: 103922-33-4
• SMILES: C2=C(OC\C=C/CNC1=C(N)C(=O)C1=O)N=CC=C2CN3CCCCC3
• InChI: 1S/C19H24N4O3/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2/b5-2-
• InChIKey: XMDYZASWLGWIPL-DJWKRKHSSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 531.274°C at 760 mmHg (Cal.)
• Flash point: 275.105°C (Cal.)