1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine

Base Information

• Chemical Name: 1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
• CAS No.: 114667-79-7
• Molecular Formula: C21H24 F2 N6
• Molecular Weight: 398.45
• DSSTox Substance ID: DTXSID90921452
• Nikkaji Number: J541.182C
• ChEMBL ID: CHEMBL59832
• Mol file: 114667-79-7.mol

Synonyms:BU-E 76;BU-E-76;N(1)-(3-(3,5-difluorophenyl)-3-pyridine-2-ylpropyl)-N(2)-(3-(1H-imidazol-4-yl)propyl)guanidine

Chemical Property of 1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine

Chemical Property:

• Vapor Pressure: 7.28E-15mmHg at 25°C
• Boiling Point: 610.9°Cat760mmHg
• PKA: 14.66±0.10(Predicted)
• Flash Point: 323.3°C
• PSA: 89.48000
• Density: 1.28g/cm³
• LogP: 4.23320
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 398.20305112
• Heavy Atom Count: 29
• Complexity: 496

Purity/Quality:

BU-E 76 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C(CCNC(=NCCCC2=CN=CN2)N)C3=CC(=CC(=C3)F)F