2-[4,7,10-Tris(Benzyloxycarbonyl)-2-Methyl-1,4,7,10-Tetrazacyclododec-1-Yl]Acetic Acid
[CAS# 272120-41-9]

Identification

• Name: 2-[4,7,10-Tris(Benzyloxycarbonyl)-2-Methyl-1,4,7,10-Tetrazacyclododec-1-Yl]Acetic Acid
• Synonyms: (4,7,10-Tris-benzyloxycarbonylmethyl-1,4,7,10tetraaza-cyclododec-1-yl)-acetic acid
• Molecular Formula: C₃₅H₄₂N₄O₈
• Molecular Weight: 646.73
• CAS Registry Number: 272120-41-9
• SMILES: CC1CN(CCN(CCN(CCN1CC(=O)O)C(=O)OCc2ccccc2)C(=O)OCc3ccccc3)C(=O)OCc4ccccc4
• InChI: 1S/C35H42N4O8/c1-28-23-39(35(44)47-27-31-15-9-4-10-16-31)22-20-37(34(43)46-26-30-13-7-3-8-14-30)18-17-36(19-21-38(28)24-32(40)41)33(42)45-25-29-11-5-2-6-12-29/h2-16,28H,17-27H2,1H3,(H,40,41)
• InChIKey: CQSLHSMTOFSWGT-UHFFFAOYSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 783.378°C at 760 mmHg (Cal.)
• Flash point: 427.572°C (Cal.)
• Refractive index: 1.574 (Cal.)