3-Amino-4-methoxybenzenesulfonic acid - CAS 98-42-0
Catalog: |
BB042154 |
Product Name: |
3-Amino-4-methoxybenzenesulfonic acid |
CAS: |
98-42-0 |
Synonyms: |
2-Aminoanisole-4-sulfonic Acid; 2-Methoxy-5-sulfoaniline; 2-Methoxyaniline-5-sulfonic Acid; 2-Methoxy-5-(trihydroxythio)benzenamine; NSC 74459; o-Anisidine-4-sulfonic Acid; o-Anisidine-p-sulfonic Acid |
IUPAC Name: | 3-amino-4-methoxybenzenesulfonic acid |
Description: | 3-Amino-4-methoxybenzenesulfonic acid (CAS# 98-42-0) is used in the synthesis of novel influenza virus inhibitors. Also used in the preparation of P2 receptor antagonists, affecting the release of ATP. |
Molecular Weight: | 203.22 |
Molecular Formula: | C7H9NO4S |
Canonical SMILES: | COC1=C(C=C(C=C1)S(=O)(=O)O)N |
InChI: | InChI=1S/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11) |
InChI Key: | FLIOATBXVNLPLK-UHFFFAOYSA-N |
Melting Point: | 305°C (dec.) |
Purity: | ≥95% |
Density: | 1.467 g/cm3 |
Appearance: | Off-white Crystalline Powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00035759 |
LogP: | 2.18610 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21843664 | 20120101 | Inhibition of smooth muscle cell adhesion and proliferation on heparin-doped polypyrrole | Acta biomaterialia |
20121227 | 20100225 | ESR, Raman, and conductivity studies on fractionated poly(2-methoxyaniline-5-sulfonic acid) | The journal of physical chemistry. B |
19850977 | 20091201 | Electrical stimulation promotes nerve cell differentiation on polypyrrole/poly (2-methoxy-5 aniline sulfonic acid) composites | Journal of neural engineering |
19408920 | 20090528 | Solid state photochemistry of novel composites containing luminescent metal centers and poly(2-methoxyaniline-5-sulfonic acid) | The journal of physical chemistry. B |
18811181 | 20081016 | Reversible photoinduced electron transfer in a ruthenium poly(2-methoxyaniline-5-sulfonic acid) composite film | The journal of physical chemistry. B |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.02522894 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.02522894 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 98 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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