1,3-Bis(3-Pyridylmethyl)Urea
[CAS# 39642-65-4]

Identification

• Name: 1,3-Bis(3-Pyridylmethyl)Urea
• Synonyms: 1,3-Bis(3-Pyridylmethyl)Urea; Nci60_037355
• Molecular Formula: C₁₃H₁₄N₄O
• Molecular Weight: 242.28
• CAS Registry Number: 39642-65-4
• EINECS: 254-557-1
• SMILES: C2=C(CNC(NCC1=CC=CN=C1)=O)C=NC=C2
• InChI: 1S/C13H14N4O/c18-13(16-9-11-3-1-5-14-7-11)17-10-12-4-2-6-15-8-12/h1-8H,9-10H2,(H2,16,17,18)
• InChIKey: MXEJJBGVOYQRDF-UHFFFAOYSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 541.703°C at 760 mmHg (Cal.)
• Flash point: 281.412°C (Cal.)

References

• (1): Diaz Pilar. Synthesis, structural characterization and anion binding studies of palladium macrocycles with hydrogen-bonding ligands, Dalton Transactions, 2007