Pentetic acid information

Pentetic acid
Names
	IUPAC name N,N′-{[(Carboxymethyl)azanediyl]di(ethane-2,1-diyl)}bis[N-(carboxymethyl)glycine]
	Systematic IUPAC name 2,2′,2′′,2′′′-{[(Carboxymethyl)azanediyl]bis(ethane-2,1-diylnitrilo)}tetraacetic acid
	Other names DTPA; H5dtpa; Diethylenetriaminepentaacetic acid; Penta(carboxymethyl)diethylenetriamine
Identifiers
CAS Number	67-43-6 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:35739 ;
ChEMBL	ChEMBL780 ;
ChemSpider	2945 ;
ECHA InfoCard	100.000.593
KEGG	D05422 ;
PubChem CID	3053; 6441444 (Zinc-DTPA);
RTECS number	MB8205000;
UNII	7A314HQM0I ;
CompTox Dashboard (EPA)	DTXSID2023434 ;
	InChI InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27) Key: QPCDCPDFJACHGM-UHFFFAOYSA-N ;
	SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O;
Properties
Chemical formula	C14H23N3O10
Molar mass	393.349 g·mol−1
Appearance	White crystalline solid
Melting point	220 °C (428 °F; 493 K)
Boiling point	decomposes at a higher temp.
Solubility in water	<0.5 g/100 mL
Acidity (pKa)	~1.80 (20 °C)
Hazards
Flash point	Non-flammable
Related compounds
Related compounds	EDTA, NTA
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Pentetic acid or diethylenetriaminepentaacetic acid (DTPA) is an aminopolycarboxylic acid consisting of a diethylenetriamine backbone with five carboxymethyl groups. The molecule can be viewed as an expanded version of EDTA and is used similarly. It is a white solid with limited solubility in water.

^ Anonymous Pentetic Acid. In Dictionary of Organic Compounds, Sixth Edition; Buckingham, J., Macdonald, F., Eds.; CRC Press: 1996; Vol. 5, pp 1188.
^ Moeller, T.; Thompson, L. C. Observations on the rare earths—LXXV(1): The stabilities of diethylenetriaminepentaacetic acid chelates. Journal of Inorganic and Nuclear Chemistry 1962, 24, 499.

[1] Anonymous Pentetic Acid. In Dictionary of Organic Compounds, Sixth Edition; Buckingham, J., Macdonald, F., Eds.; CRC Press: 1996; Vol. 5, pp 1188.

[2] Moeller, T.; Thompson, L. C. Observations on the rare earths—LXXV(1): The stabilities of diethylenetriaminepentaacetic acid chelates. Journal of Inorganic and Nuclear Chemistry 1962, 24, 499.

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Names

IUPAC name N,N′-{[(Carboxymethyl)azanediyl]di(ethane-2,1-diyl)}bis[N-(carboxymethyl)glycine]
Systematic IUPAC name 2,2′,2′′,2′′′-{[(Carboxymethyl)azanediyl]bis(ethane-2,1-diylnitrilo)}tetraacetic acid
Other names DTPA; H₅dtpa; Diethylenetriaminepentaacetic acid; Penta(carboxymethyl)diethylenetriamine^[1]
Identifiers
CAS Number	67-43-6^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:35739^Y
ChEMBL	ChEMBL780^Y
ChemSpider	2945^Y
ECHA InfoCard	100.000.593
KEGG	D05422^Y
PubChem CID	3053 6441444 (Zinc-DTPA)
RTECS number	MB8205000
UNII	7A314HQM0I^N
CompTox Dashboard (EPA)	DTXSID2023434
InChI InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)^Y Key: QPCDCPDFJACHGM-UHFFFAOYSA-N^Y
SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Properties
Chemical formula	C₁₄H₂₃N₃O₁₀
Molar mass	393.349 g·mol⁻¹
Appearance	White crystalline solid
Melting point	220 °C (428 °F; 493 K)
Boiling point	decomposes at a higher temp.
Solubility in water	<0.5 g/100 mL
Acidity (pK_a)	~1.80 (20 °C) ^[2]
Hazards
Flash point	Non-flammable
Related compounds
Related compounds	EDTA, NTA
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references