2-(4-Pyridyl)ethanesulfonic acid - CAS 53054-76-5
Catalog: |
BB028026 |
Product Name: |
2-(4-Pyridyl)ethanesulfonic acid |
CAS: |
53054-76-5 |
Synonyms: |
2-pyridin-4-ylethanesulfonic acid |
IUPAC Name: | 2-pyridin-4-ylethanesulfonic acid |
Description: | 2-(4-Pyridyl)ethanesulfonic acid (CAS# 53054-76-5) is the sulfonated substrate for alkanesulfonate monooxygenase. It is also used in the preparation of benzyldimethyltetradecyl ammoniumchloride dihydrate solution. |
Molecular Weight: | 187.22 |
Molecular Formula: | C7H9NO3S |
Canonical SMILES: | C1=CN=CC=C1CCS(=O)(=O)O |
InChI: | InChI=1S/C7H9NO3S/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11) |
InChI Key: | RGIIAYDCZSXHGL-UHFFFAOYSA-N |
Density: | 1.397 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00006452 |
LogP: | 1.59270 |
GHS Hazard Statement: | H314 (11.63%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.03031432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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Pyridines
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