4-(4-Aminophenyl)-2-[4,7,10-Tris(Carboxymethyl)-1,4,7,10-Tetrazacyclododec-1-Yl]Butanoic Acid
[CAS# 130707-75-4]

Identification

• Name: 4-(4-Aminophenyl)-2-[4,7,10-Tris(Carboxymethyl)-1,4,7,10-Tetrazacyclododec-1-Yl]Butanoic Acid
• Synonyms: 4-(4-Aminophenyl)-2-[4,7,10-Tris(Carboxymethyl)-1,4,7,10-Tetrazacyclododec-1-Yl]Butyric Acid; Pa-Dota; Alpha-(2-(4-Aminophenyl)Ethyl)-1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetraacetic Acid
• Molecular Formula: C₂₄H₃₇N₅O₈
• Molecular Weight: 523.59
• CAS Registry Number: 130707-75-4
• SMILES: C2=C(CCC(N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)O)C=CC(=C2)N
• InChI: 1S/C24H37N5O8/c25-19-4-1-18(2-5-19)3-6-20(24(36)37)29-13-11-27(16-22(32)33)9-7-26(15-21(30)31)8-10-28(12-14-29)17-23(34)35/h1-2,4-5,20H,3,6-17,25H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
• InChIKey: HQHVHMQCHASIHT-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 816.728°C at 760 mmHg (Cal.)
• Flash point: 447.741°C (Cal.)