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1939-36-2 | 2,2',2'',2'''-(Propane-1,3-diylbis(azanetriyl););tetraacetic acid
CAS No: 1939-36-2 Catalog No: AG003DLH MDL No:MFCD00210039
Product Description
Catalog Number:
AG003DLH
Chemical Name:
2,2',2'',2'''-(Propane-1,3-diylbis(azanetriyl););tetraacetic acid
CAS Number:
1939-36-2
Molecular Formula:
C11H18N2O8
Molecular Weight:
306.2692
MDL Number:
MFCD00210039
IUPAC Name:
2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid
InChI:
InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChI Key:
DMQQXDPCRUGSQB-UHFFFAOYSA-N
SMILES:
OC(=O)CN(CC(=O)O)CCCN(CC(=O)O)CC(=O)O
UNII:
3F6OA94EER
NSC Number:
18484
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
306.271g/mol
Monoisotopic Mass:
306.106g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.5
Literature
| Title | Journal |
|---|---|
| Aminocarboxylate complexes of vanadium(III): Electronic structure investigation by high-frequency and -field electron paramagnetic resonance spectroscopy. | Journal of inorganic biochemistry 20090401 |
| Inner-sphere oxidation of ternary iminodiacetatochromium(III) complexes involving DL-valine and L-arginine as secondary ligands. Isokinetic relationship for the oxidation of ternary iminodiacetato-chromium(III) complexes by periodate. | Chemistry Central journal 20090101 |
| Coordination behaviour and two-dimensional-network formation in poly[[mu-aqua-diaqua(mu5-propane-1,3-diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]: the first example of an M(II)-1,3-pdta complex with a monovalent metal counter-ion. | Acta crystallographica. Section C, Crystal structure communications 20080601 |
| Determination of alternative and conventional chelating agents as copper(II) complexes by capillary zone electrophoresis--the first use of didecyldimethylammonium bromide as a flow reversal reagent. | Analytica chimica acta 20070212 |
| Improving sensitivity in simultaneous determination of copper carboxylates by nonaqueous capillary electrophoresis. | Journal of chromatography. A 20060331 |
| Speciation of chromium(III) and cobalt(III) (amino)carboxylate complexes using capillary electrophoresis. | Analytical chemistry 20050101 |
| Impact of aminopolycarboxylates on aquatic organisms and eutrophication: overview of available data. | Environmental toxicology 20041201 |
| Occurrence of aminopolycarboxylates in the aquatic environment of Germany. | Environmental pollution (Barking, Essex : 1987) 20040901 |
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