1,7-Dibenzyl-1,4,7,10-Tetraazacyclododecane
[CAS# 156970-79-5]

Identification

• Name: 1,7-Dibenzyl-1,4,7,10-Tetraazacyclododecane
• Synonyms: 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane; N(1),N(7)-Dibenzylcyclen
• Molecular Formula: C₂₂H₃₂N₄
• Molecular Weight: 352.52
• CAS Registry Number: 156970-79-5
• SMILES: C1CN(CCNCCN(CCN1)CC2=CC=CC=C2)CC3=CC=CC=C3
• InChI: 1S/C22H32N4/c1-3-7-21(8-4-1)19-25-15-11-23-13-17-26(18-14-24-12-16-25)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2
• InChIKey: CLXIHHGLHPVIIQ-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 494.6±40.0°C at 760 mmHg (Cal.)
• Flash point: 262.2±22.0°C (Cal.)
• Refractive index: 1.547 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin