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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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$43.00   $30.00
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5g
96%
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$129.00   $90.00
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10g
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$193.00   $135.00
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25g
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100g
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • 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
IUPAC Name:
3-[bis(2-carboxyethyl)amino]propanoic acid
InChI:
InChI=1S/C9H15NO6/c11-7(12)1-4-10(5-2-8(13)14)6-3-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChI Key:
IWTIBPIVCKUAHK-UHFFFAOYSA-N
SMILES:
OC(=O)CCN(CCC(=O)O)CCC(=O)O
UNII:
YO42Z8V5HG
NSC Number:
145698
Properties
Computed Properties
 
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
233.22g/mol
Monoisotopic Mass:
233.09g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5  

Synonyms
 
3,3',3''-Nitrilotripropionic Acid 
817-11-8 
AC1Q5WDB 
ACMC-209pm3 
SCHEMBL163128 
AC1L408N 
3,3',3''-nitrilotripropanoic acid(non-preferred name) 
CTK8B2358 
DTXSID70231248 
IWTIBPIVCKUAHK-UHFFFAOYSA-N 
Tris(3-oxo-3-hydroxypropyl)amine 
ZINC1728397 
NITRILOTRIPROPIONIC ACID 
ANW-37465 
MFCD00055827 
AKOS022588377 
MCULE-3141120138 
NSC-145698 
TR-025653 
FT-0613970 
N0409 
C9H15NO6 
C9-H15-N-O6 
3,3',3''-nitrilotripropanoic acid 
CID98537 
AR-1E8294 
NTP 
86427-78-3 
UNII-YO42Z8V5HG 
YO42Z8V5HG 
beta-Alanine, N,N-bis(2-carboxyethyl)- 
3-[bis(2-carboxyethyl)amino]propanoic acid 
NSC145698 
NSC 145698 
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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