Methyl 4-Amino-5-(ethylsulfonyl)-2-methoxybenzoate - CAS 80036-89-1
Catalog: |
BB036447 |
Product Name: |
Methyl 4-Amino-5-(ethylsulfonyl)-2-methoxybenzoate |
CAS: |
80036-89-1 |
Synonyms: |
4-amino-5-ethylsulfonyl-2-methoxybenzoic acid methyl ester; methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate |
IUPAC Name: | methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate |
Description: | Methyl 4-Amino-5-(ethylsulfonyl)-2-methoxybenzoate (CAS# 80036-89-1) is a useful research chemical. |
Molecular Weight: | 273.31 |
Molecular Formula: | C11H15NO5S |
Canonical SMILES: | CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)OC)N |
InChI: | InChI=1S/C11H15NO5S/c1-4-18(14,15)10-5-7(11(13)17-3)9(16-2)6-8(10)12/h5-6H,4,12H2,1-3H3 |
InChI Key: | BBWJVKZAKHIKRQ-UHFFFAOYSA-N |
Boiling Point: | 514.5 °C at 760 mmHg |
Density: | 1.289 g/cm3 |
Appearance: | White crystalline powder |
LogP: | 2.51960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112624951-A | Preparation method of amisulpride | 20201229 |
AU-2018378348-A1 | Crystal forms and production methods thereof | 20171205 |
US-10377708-B2 | Crystal forms and production methods thereof | 20171205 |
US-10577317-B2 | Crystal forms and production methods thereof | 20171205 |
US-2019169123-A1 | Crystal forms and production methods thereof | 20171205 |
Complexity: | 389 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.06709375 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.06709375 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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