Methylglycine Diacetic Acid - CAS 29578-05-0

Catalog:	BB058934
Product Name:	Methylglycine Diacetic Acid
CAS:	29578-05-0
Synonyms:	N,N-Bis(carboxymethyl)-L-alanine;2-Methyl-2,2',2''-nitrilotriacetic Acid;L-Alanine-N,N-di(acetic Acid);L-α-Alanine-N,N-diacetic Acid;MGDA;Methylglycine-N,N-diacetic Acid;Trilon ES;Trilon ES 9644;Trilon MX

Technical Data

IUPAC Name:	(2S)-2-[bis(carboxymethyl)amino]propanoic acid
Description:	Methylglycine Diacetic Acid is used in photosensitizer and chelating agent combinations for use as insecticides.
Molecular Weight:	205.17
Molecular Formula:	C7H11NO6
Canonical SMILES:	CC(C(=O)O)N(CC(=O)O)CC(=O)O
InChI:	InChI=1S/C7H11NO6/c1-4(7(13)14)8(2-5(9)10)3-6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
InChI Key:	CIEZZGWIJBXOTE-BYPYZUCNSA-N
References:	Fefer, M., et al. PCT Int. Appl. 53 pp. (2020).

Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	205.05863707
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	205.05863707
Rotatable Bond Count:	6
Topological Polar Surface Area:	115Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.8