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CAS 29452-57-1 manufacturers and suppliers on PharmaCompass

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CAS 29452-57-1
Also known as: 29452-57-1, 4-amino-pyridine-3-sulfonic acid, 4-amino-3-pyridinesulfonic acid, Mfcd04114242, 4-aminopyridin-3-ylsulphonic acid, 3-pyridinesulfonic acid, 4-amino-
Molecular Formula
C5H6N2O3S
Molecular Weight
174.18  g/mol
InChI Key
VOMYEVOVADPHCK-UHFFFAOYSA-N

1 2D Structure

CAS 29452-57-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-aminopyridine-3-sulfonic acid
2.1.2 InChI
InChI=1S/C5H6N2O3S/c6-4-1-2-7-3-5(4)11(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)
2.1.3 InChI Key
VOMYEVOVADPHCK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN=CC(=C1N)S(=O)(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 29452-57-1

2. 4-amino-pyridine-3-sulfonic Acid

3. 4-amino-3-pyridinesulfonic Acid

4. Mfcd04114242

5. 4-aminopyridin-3-ylsulphonic Acid

6. 3-pyridinesulfonic Acid, 4-amino-

7. 4-amino-3-pyridinesulphonic Acid

8. 4-aminopyridine-3-sulfonicacid

9. Schembl4808842

10. 3-pyridinesulfonicacid,4-amino-

11. 4-azanylpyridine-3-sulfonic Acid

12. Dtxsid60376576

13. Akos002665625

14. Ab18016

15. Cs-0450568

16. Ft-0646097

17. A819922

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 174.18 g/mol
Molecular Formula C5H6N2O3S
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area102
Heavy Atom Count11
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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