Methyl 3-amino-2-hydroxybenzoate - ≥98% , CAS No.35748-34-6

CAS: 35748-34-6 Cat. No.: M183998 Peso molecular: 167.16 Número EC: 817-266-6

GRADE & PURITY ≥98%

Synonyms

aminohydroxy-benzoic methyl ester | methyl 3-amino-2-hydroxybenzoate | OMWQHVRUXLRZRC-UHFFFAOYSA-N | 3-AMINOSALICYLIC ACID METHYL ESTER | DTXCID4029808 | 3-Amino-2-hydroxy methyl benzoic acid methyl ester | MFCD09842614 | methyl-m-aminosalicylat | 3-amino

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

aminohydroxy-benzoic methyl ester | methyl 3-amino-2-hydroxybenzoate | OMWQHVRUXLRZRC-UHFFFAOYSA-N | 3-AMINOSALICYLIC ACID METHYL ESTER | DTXCID4029808 | 3-Amino-2-hydroxy methyl benzoic acid methyl ester | MFCD09842614 | methyl-m-aminosalicylat | 3-amino

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

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

• Sonrisas canónicas: COC(=O)C1=C(C(=CC=C1)N)O
• IUPAC Name: methyl 3-amino-2-hydroxybenzoate
• InChIKey: OMWQHVRUXLRZRC-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3
• Isómeros SMILES: COC(=O)C1=C(C(=CC=C1)N)O
• Peso molecular: 167.16
• Reaxy-Rn: 1101819
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101819&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 o-Hydroxybenzoic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters
• Direct Parent: o-Hydroxybenzoic acid esters
• Alternative Parents: Aminosalicylic acids and derivatives Aminobenzoic acids and derivatives o-Aminophenols Benzoyl derivatives Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Methyl esters Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-hydroxybenzoic acid ester - Aminosalicylic acid or derivatives - Aminobenzoic acid or derivatives - Salicylic acid or derivatives - O-aminophenol - Aminophenol - Aniline or substituted anilines - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Vinylogous acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy 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: 167.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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