(4,7,10-Tris{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid
[CAS 247193-74-4]

Identification

• Name: (4,7,10-Tris{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid
• Synonyms: 1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane
• Molecular Formula: C₂₅H₄₆N₄O₈
• Molecular Weight: 530.65
• CAS Registry Number: 247193-74-4
• SMILES: CC(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)O
• InChI: 1S/C25H46N4O8/c1-23(2,3)35-20(32)27-12-10-26(18-19(30)31)11-13-28(21(33)36-24(4,5)6)15-17-29(16-14-27)22(34)37-25(7,8)9/h10-18H2,1-9H3,(H,30,31)
• InChIKey: NDHHFZCDHYVCTI-UHFFFAOYSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 611.619°C at 760 mmHg (Cal.)
• Flash point: 323.696°C (Cal.)
• Refractive index: 1.491 (Cal.)