Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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M170636-250mg
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250mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$15.90
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M170636-1g
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1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$35.90
|
|
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M170636-5g
|
5g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$115.90
|
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| Synonyms | A871586 | SMR000062595 | InChI=1/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H | STK865517 | NSC80816 | NSC-80816 | SR-01000510943 | FT-0628432 | Benzoic acid, 2-amino-3,4,5-trimethoxy-, methyl ester | EINECS 225-728-8 | SCHEMBL4734 |
|---|---|
| Specifications & Purity | ≥99% |
| Storage Temp | Store at -20°C,Argon charged |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives |
| Direct Parent | Gallic acid and derivatives |
| Alternative Parents | P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Aminophenyl ethers Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Vinylogous amides Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Primary amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Primary amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety. |
| External Descriptors | Not available |
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| IUPAC Name | methyl 2-amino-3,4,5-trimethoxybenzoate |
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| INCHI | InChI=1S/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3 |
| InChIKey | UPVUQELOASQBMY-UHFFFAOYSA-N |
| Smiles | COC1=C(C(=C(C(=C1)C(=O)OC)N)OC)OC |
| Isomeric SMILES | COC1=C(C(=C(C(=C1)C(=O)OC)N)OC)OC |
| WGK Germany | 3 |
| Molecular Weight | 241.24 |
| Reaxy-Rn | 2142334 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2142334&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 11, 2025 | M170636 | |
| Certificate of Analysis | Jun 11, 2025 | M170636 | |
| Certificate of Analysis | Jun 11, 2025 | M170636 | |
| Certificate of Analysis | Jun 11, 2025 | M170636 | |
| Certificate of Analysis | Jun 11, 2025 | M170636 | |
| Certificate of Analysis | Jun 11, 2025 | M170636 |
| Flash Point(°F) | 235.4 °F |
|---|---|
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 127-140 °C/0.1 mmHg (lit.) |
| Melt Point(°C) | 44-45 °C (lit.) |
| Molecular Weight | 241.240 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 241.095 Da |
| Monoisotopic Mass | 241.095 Da |
| Topological Polar Surface Area | 80.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 260.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |