N,N,N',N'-Tetrakis(2-Pyridinylmethyl)-1,2-Ethanediamine
[CAS# 16858-02-9]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Pyridine derivative
• Name: N,N,N',N'-Tetrakis(2-Pyridinylmethyl)-1,2-Ethanediamine
• Synonyms: N,N,N',N'-Tetrakis(2-Pyridylmethyl)Ethane-1,2-Diamine; 2-(Bis(2-Pyridylmethyl)Amino)Ethyl-Bis(2-Pyridylmethyl)Amine; 1,2-Ethanediamine, N,N,N',N'-Tetrakis(2-Pyridinylmethyl)-, (Oc-6-11)-
• Molecular Formula: C₂₆H₂₈N₆
• Molecular Weight: 424.55
• CAS Registry Number: 16858-02-9
• SMILES: C1=CC=CN=C1CN(CC2=NC=CC=C2)CCN(CC3=NC=CC=C3)CC4=NC=CC=C4
• InChI: 1S/C26H28N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-16H,17-22H2
• InChIKey: CVRXLMUYFMERMJ-UHFFFAOYSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Melting point: 112°C (Expl.)
• Boiling point: 542.125°C at 760 mmHg (Cal.)
• Flash point: 281.667°C (Cal.)
• solubility: Soluble to 25 mM in DMSO and to 100 mM in ethanol

References

• (1): Aurore Thibon, Jean-François Bartoli, Sophie Bourcier and Frédéric Banse. Mononuclear iron complexes relevant to nonheme iron oxygenases. Synthesis, characterizations and reactivity of Fe-Oxo and Fe-Peroxo intermediates, Dalton Trans., 2009, 9587.