Methyl 2-amino-5-methoxybenzoate - ≥96% , CAS No.2475-80-1

CAS: 2475-80-1 Cat. No.: M123589 Molecular Weight: 181.19 EC Number: 821-465-3

GRADE & PURITY ≥96%

Synonyms

2-amino-5-methoxybenzoic acid, methyl ester | DS-0631 | methyl 5-methoxyanthranilate | AM873 | Tetramethylammoniumfluoride | DTXSID40516554 | methyl 2-amino-5-methoxybenzoate, AldrichCPR | MOVBJUGHBJJKOW-UHFFFAOYSA-N | A852431 | methyl 2-amino-5-methoxybe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-amino-5-methoxybenzoic acid, methyl ester | DS-0631 | methyl 5-methoxyanthranilate | AM873 | Tetramethylammoniumfluoride | DTXSID40516554 | methyl 2-amino-5-methoxybenzoate, AldrichCPR | MOVBJUGHBJJKOW-UHFFFAOYSA-N | A852431 | methyl 2-amino-5-methoxybe

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488198343
• Canonical Smiles: COC1=CC(=C(C=C1)N)C(=O)OC
• IUPAC Name: methyl 2-amino-5-methoxybenzoate
• InChIKey: MOVBJUGHBJJKOW-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,10H2,1-2H3
• Isomeric SMILES: COC1=CC(=C(C=C1)N)C(=O)OC
• Molecular Weight: 181.19
• Reaxy-Rn: 2937102
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2937102&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 M-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: M-methoxybenzoic acids and derivatives
• Alternative Parents: Benzoic acid esters Aminobenzoic acids and derivatives Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Vinylogous amides Methyl esters Amino acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-methoxybenzoic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Methoxyaniline - Anisole - Methoxybenzene - Phenoxy compound - Aniline or substituted anilines - Benzoyl - Phenol ether - Alkyl aryl ether - Vinylogous amide - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 32-33°C
• Molecular Weight: 181.190 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.074 Da
• Monoisotopic Mass: 181.074 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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

References

1. Sha Zhou, Jing Cao, Ziye Xiang, Yi Liu, Xiaoyu Ma, Min Hu.  (2025)  Effect of quaternary ammonium fluoride additives with different chain lengths on the performance of SLRFB.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2025.146883]

2. Kangwei Gongsun, Zhuyin Gang, Xiang Gao, Juan Qiu, Kanglu Feng, Chunchao Chen, Changming Bu, Xiaofan Li, Houyi Ma.  (2025)  Anion-trapping polyhedral oligomeric silsesquioxane cage structures to modify interfacial architecture for exceptional multifunctional coatings.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171176]