1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride hydrate

SpectraBase Compound ID	GZPNHBF9O8m
InChI	InChI=1S/C18H32N4O8.4Cl.O/c23-15(24)11-19-3-1-4-20(12-16(25)26)8-10-22(14-18(29)30)6-2-5-21(9-7-19)13-17(27)28;;;;;/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30);;;;;
InChIKey	MMVGLSJAMSXYKQ-UHFFFAOYSA-N Google Search
Mol Weight	590.29 g/mol
Molecular Formula	C18H32Cl4N4O9
Exact Mass	588.092339 g/mol

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SpectraBase Spectrum ID	1kYgADNGQ5h
Name	1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride hydrate
Source of Sample	Aldrich
Catalog Number	400408
CAS Registry Number	339091-75-7
Comments	MW calculated on anhydrous base
Copyright	Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H32N4O84HClxH2O
InChI	InChI=1S/C18H32N4O8.4Cl.O/c23-15(24)11-19-3-1-4-20(12-16(25)26)8-10-22(14-18(29)30)6-2-5-21(9-7-19)13-17(27)28;;;;;/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30);;;;;
InChIKey	MMVGLSJAMSXYKQ-UHFFFAOYSA-N
Wiley ID	SIAL_ATR-IR_018537