2-[4,7-bis(carboxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

CAS: 120041-08-9

Molecular Formula	`C17H32N4O7`
Molecular Weight	404.5 g/mol
LogP	-8.2
Topological Polar Surface Area	145.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	404.2271
Heavy Atoms	28
Complexity	488.0

Chemical Identifiers

CAS Number	120041-08-9
SMILES	`CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O`
InChIKey	`IQUHNCOJRJBMSU-UHFFFAOYSA-N`

📖 Product Overview

2-[4,7-bis(carboxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 120041-08-9) is a chemical compound with molecular formula C17H32N4O7 and molecular weight 404.5 g/mol. Its IUPAC systematic name is 2-[4,7-bis(carboxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. LogP -8.2 Topological Polar Surface Area 145.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 11 Rotatable Bonds 8 Exact Mass 404.2271 Heavy Atoms 28 Complexity 488.0 InChI Key: IQUHNCOJRJBMSU-UHFFFAOYSA-N. SMILES: CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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