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19213-70-8 | Ethanesulfonic acid, 2-(acetylamino)-
CAS No: 19213-70-8 Catalog No: AG002FOU MDL No:
Product Description
Catalog Number:
AG002FOU
Chemical Name:
Ethanesulfonic acid, 2-(acetylamino)-
CAS Number:
19213-70-8
Molecular Formula:
C4H9NO4S
Molecular Weight:
167.1836
IUPAC Name:
2-acetamidoethanesulfonic acid
InChI:
InChI=1S/C4H9NO4S/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H,7,8,9)
InChI Key:
CXJAAWRLVGAKDV-UHFFFAOYSA-N
SMILES:
CC(=O)NCCS(=O)(=O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.179g/mol
Monoisotopic Mass:
167.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
| Title | Journal |
|---|---|
| Radiation metabolomics. 5. Identification of urinary biomarkers of ionizing radiation exposure in nonhuman primates by mass spectrometry-based metabolomics. | Radiation research 20121001 |
| Identification of N-acetyltaurine as a novel metabolite of ethanol through metabolomics-guided biochemical analysis. | The Journal of biological chemistry 20120224 |
| Molecular genetics and biochemistry of N-acetyltaurine degradation by Cupriavidus necator H16. | Microbiology (Reading, England) 20111001 |
| Radiation metabolomics. 4. UPLC-ESI-QTOFMS-Based metabolomics for urinary biomarker discovery in gamma-irradiated rats. | Radiation research 20110401 |
| N-acetyltaurine dissimilated via taurine by Delftia acidovorans NAT. | Archives of microbiology 20060701 |
| Changes in composition of spider orb web sticky droplets with starvation and web removal, and synthesis of sticky droplet compounds. | The Journal of experimental biology 20060401 |
| Reversible model of magnesium depletion induced by systemic kainic acid injection in magnesium-deficient rats: I--Comparative study of various magnesium salts. | Magnesium research 19961201 |
| Audiogenic seizures in magnesium-deficient mice: effects of magnesium pyrrolidone-2-carboxylate, magnesium acetyltaurinate, magnesium chloride and vitamin B-6. | Magnesium research 19930301 |
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