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2-[Bis[2-[[2-(methylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate hydrate

CAS
138721-73-0
Catalog Number
ACM138721730
Category
Other Products
Molecular Weight
434.422 g/mol
Molecular Formula
C16H28N5O9-3

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Specification

Synonyms
2-[bis[2-[[2-(methylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate hydrate; 2,5,8,11-tetraazatridecan-13-oate,11-[2-(methylamino)-2-oxoethyl]-5,8-bis(2-olato-2-oxoethyl)-3-oxo-,hydrate (1:1);
IUPAC Name
2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;hydrate
Canonical SMILES
CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O
InChI Key
XPTHPEXVBYEOPW-UHFFFAOYSA-K
Boiling Point
769.1ºC at 760mmHg
Flash Point
419ºC
Exact Mass
434.18900
H-Bond Acceptor
12
H-Bond Donor
3
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