Methyl 5-aminosalicylate - CAS 42753-75-3
Catalog: |
BB025217 |
Product Name: |
Methyl 5-aminosalicylate |
CAS: |
42753-75-3 |
Synonyms: |
methyl 5-amino-2-hydroxybenzoate |
IUPAC Name: | methyl 5-amino-2-hydroxybenzoate |
Description: | Methyl 5-aminosalicylate (CAS# 42753-75-3) is disubsituted benzoic acid used in the preparation of various pharmaceutical compounds such as sphingosine kinase inhibitors. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)N)O |
InChI: | InChI=1S/C8H9NO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,9H2,1H3 |
InChI Key: | MXUHMQZOATZRIK-UHFFFAOYSA-N |
Boiling Point: | 319.2 ℃ at 760 mmHg |
Density: | 1.305 g/cm3 |
Appearance: | White to brown powder or crystals |
MDL: | MFCD01317557 |
LogP: | 1.34220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112409201-A | Preparation method of 2-hydroxy-5- [2- (4- (trifluoromethylphenyl) ethylamino) ] benzoic acid | 20201208 |
CN-112322146-A | Low-temperature curing cathode electrophoretic coating, and preparation process and application thereof | 20201203 |
EP-3878837-A1 | 2,5- or 2,6-disubstituted hydroquinone derivatives with at least one carboxy, sulfo or amido group useful as medicaments | 20200311 |
WO-2021180655-A1 | 2,5- or 2,6-disubstituted hydroquinone derivatives with at least one carboxy, sulfo or amido group useful as medicaments | 20200311 |
WO-2021178488-A1 | Eif4e inhibitors and uses thereof | 20200303 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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