Methyl 4-amino-3-methoxybenzoate - ≥98% , CAS No.41608-64-4

CAS: 41608-64-4 Cat. No.: M184440 Peso molecular: 181.2 Número EC: 255-456-5

GRADE & PURITY ≥98%

Synonyms

3-Methoxy-4-aminobenzoic acid methyl ester | METHYL 4-AMINO-3-METHOXY BENZOATE | Benzoic acid, 4-amino-3-methoxy-, methyl ester | 4-Amino-3-methoxybenzoic acid methyl ester

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

3-Methoxy-4-aminobenzoic acid methyl ester | METHYL 4-AMINO-3-METHOXY BENZOATE | Benzoic acid, 4-amino-3-methoxy-, methyl ester | 4-Amino-3-methoxybenzoic acid methyl ester

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759475
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759475
• Sonrisas canónicas: COC1=C(C=CC(=C1)C(=O)OC)N
• IUPAC Name: methyl 4-amino-3-methoxybenzoate
• InChIKey: DJLFOMMCQBAMAA-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,10H2,1-2H3
• Isómeros SMILES: COC1=C(C=CC(=C1)C(=O)OC)N
• Peso molecular: 181.2
• Reaxy-Rn: 2834398
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2834398&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase 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
• Clase: 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: Aminobenzoic acids and derivatives Benzoic acid esters Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Hydrocarbon derivatives Primary amines Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-methoxybenzoic acid or derivatives - Benzoate ester - Aminobenzoic acid or derivatives - Methoxyaniline - Aminophenyl ether - Anisole - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Benzoyl - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 181.190 g/mol
• XLogP3: 1.100
• 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