Pibutidine

Base Information

• Chemical Name: Pibutidine
• CAS No.: 103922-33-4
• Molecular Formula: C19H24 N4 O3
• Molecular Weight: 0
• UNII: 4XRL9PL02Y
• DSSTox Substance ID: DTXSID4048802
• Nikkaji Number: J291.394A
• Wikidata: Q27260645
• NCI Thesaurus Code: C81156
• Metabolomics Workbench ID: 49674
• ChEMBL ID: CHEMBL1742413
• Mol file: 103922-33-4.mol

Synonyms:Pibutidine;Pibutidine [INN];103922-33-4;UNII-4XRL9PL02Y;4XRL9PL02Y;DTXSID4048802;1-Amino-2-(4-(4-(1-piperidinomethyl)pyridyl-2-oxy)-cis-2-butenylamino)-1-cyclobuten-3,4-dione;3-Amino-4-(((Z)-4-((4-(piperidinomethyl)-2-pyridyl)oxy)-2-butenyl)amino)-3-cyclobutene-1,2-dione;3-amino-4-[[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]cyclobut-3-ene-1,2-dione;3-Cyclobutene-1,2-dione, 3-amino-4-((4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)amino)-, (Z)-;NCGC00183845-01;3-AMINO-4-{[(2Z)-4-{[4-(PIPERIDIN-1-YLMETHYL)PYRIDIN-2-YL]OXY}BUT-2-EN-1-YL]AMINO}CYCLOBUT-3-ENE-1,2-DIONE;pibutidina;pibutidinum;SCHEMBL1230267;CHEMBL1742413;DTXCID7028728;CHEBI:145662;Tox21_113279;LS-55892;CAS-103922-33-4;L001378;Q27260645;3-amino-4-[[(Z)-4-[4-(piperidinomethyl)pyridin-2-yloxy]-2-butenyl]amino]-3-cyclobutene-1,2-dione;3-amino-4-{4-[4-(1-piperidinomethyl)-2-pyridyloxy]-cis-2-butenylamino}-3-cyclobutene-1,2-dione

Chemical Property of Pibutidine

Chemical Property:

• Vapor Pressure: 2.28E-11mmHg at 25°C
• Boiling Point: 531.3°Cat760mmHg
• Flash Point: 275.1°C
• PSA: 97.55000
• Density: 1.28g/cm³
• LogP: 1.94330
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 356.18484064
• Heavy Atom Count: 26
• Complexity: 581

Purity/Quality:

PIBUTIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC3=C(C(=O)C3=O)N
• Isomeric SMILES: C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC3=C(C(=O)C3=O)N