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817-11-8,MFCD00055827
Catalog No.:AA003I8T

817-11-8 | 3,3',3''-Nitrilotripropionic acid

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1g
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in stock  
$37.00   $26.00
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5g
96%
in stock  
$162.00   $113.00
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10g
>99.0%(T)
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$186.00   $130.00
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25g
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$356.00   $249.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003I8T
Chemical Name:
3,3',3''-Nitrilotripropionic acid
CAS Number:
817-11-8
Molecular Formula:
C9H15NO6
Molecular Weight:
233.2185
MDL Number:
MFCD00055827
SMILES:
OC(=O)CCN(CCC(=O)O)CCC(=O)O
NSC Number:
145698
Properties
Properties
 
BP:
502.1°C at 760 mmHg  
Form:
Solid  

Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
9  
XLogP3:
-3.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:I.G.FARBENINDUSTRIEAG(historic)-US2195974,1937,A

[1]Zhadanov,B.V.;Tsirul'nikova,N.V.;Polyakova,I.A.;Egorushkina,N.A.;Kaslina,N.A.;Temkina,V.Ya.[JournalofgeneralchemistryoftheUSSR,1985,vol.55,#5,p.1024-1028][ZhurnalObshcheiKhimii,1985,vol.55,#5,p.1149-1154]

[1]Karunaratne;Hoveyda;Orvig[TetrahedronLetters,1992,vol.33,#14,p.1827-1830]

[1]Karunaratne;Hoveyda;Orvig[TetrahedronLetters,1992,vol.33,#14,p.1827-1830]

Literature

Title: 2-Amino-1-(2-carboxyl-atoeth-yl)pyrimidin-1-ium monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: A density functional theory- and atoms in molecules-based study of NiNTA and NiNTPA complexes toward physical properties controlling their stability. A new method of computing a formation constant.

Journal: Inorganic chemistry 20100802

Title: Density functional theory in prediction of four stepwise protonation constants for nitrilotripropanoic acid (NTPA).

Journal: The journal of physical chemistry. A 20090416

Title: Use of proliferation tests to evaluate the effects of complexing agents on beryllium toxicity.

Journal: Journal of applied toxicology : JAT 20090101

Title: 3-(2-Acetyl-anilino)propanoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Study on the effects of nitrilotriproprionic acid and 4,5-dihydroxy-1,3-benzene disulphonate on the fractionation of beryllium in human serum using graphite furnace atomic absorption spectrometry.

Journal: Chemistry Central journal 20080101

Title: Synthesis and magnetism of oxygen-bridged tetranuclear defect dicubane Co(II) and Ni(II) clusters.

Journal: Dalton transactions (Cambridge, England : 2003) 20040907

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SDS
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