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113516-70-4 | 1-Propanesulfonic acid, 3-[[3-hydroxy-4-[2-(5-nitro-2-pyridinyl)diazenyl]phenyl]propylamino]-, sodium salt (1:1)
CAS No: 113516-70-4 Catalog No: AG0008V0 MDL No:
Product Description
Catalog Number:
AG0008V0
Chemical Name:
1-Propanesulfonic acid, 3-[[3-hydroxy-4-[2-(5-nitro-2-pyridinyl)diazenyl]phenyl]propylamino]-, sodium salt (1:1)
CAS Number:
113516-70-4
Molecular Formula:
C17H20N5NaO6S
Molecular Weight:
445.4254
IUPAC Name:
3-[3-hydroxy-4-[(5-nitropyridin-2-yl)diazenyl]-N-propylanilino]propane-1-sulfonic acid
InChI:
InChI=1S/C17H21N5O6S/c1-2-8-21(9-3-10-29(26,27)28)13-4-6-15(16(23)11-13)19-20-17-7-5-14(12-18-17)22(24)25/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,26,27,28)
InChI Key:
DSOBYSHRIJISFE-UHFFFAOYSA-N
SMILES:
Oc1cc(CCCNCCCS(=O)(=O)[O-])ccc1N=Nc1ccc(cn1)[N+](=O)[O-].[Na+]
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.121g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.444g/mol
Monoisotopic Mass:
423.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| High-performance liquid chromatography with sequential injection for online precolumn derivatization of some heavy metals. | Journal of separation science 20071101 |
| Methods for studying iron metabolism in yeast mitochondria. | Methods in cell biology 20070101 |
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