5-Methoxy-2-methylaniline - ≥97% , CAS No.50868-72-9

CAS: 50868-72-9 Cat. No.: W134180 Fórmula: CH₃OC₆H₃(CH₃)NH₂ Peso molecular: 137.18 Número EC: 256-816-4 PubChem CID: 99500

GRADE & PURITY ≥97%

Synonyms

DTXSID20198897 | BCP05922 | EINECS 256-816-4 | rel-N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzamide | EN300-85919 | J-517680 | 6-Fluoro-N-[(4-Fluorophenyl)methyl]-4-quinazolinamine | 5-Methoxy-2-methylan

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

It was used in the preparation of N-(5-methoxy-2-methylphenyl)acetamide.

Specifications

Sinónimos

DTXSID20198897 | BCP05922 | EINECS 256-816-4 | rel-N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzamide | EN300-85919 | J-517680 | 6-Fluoro-N-[(4-Fluorophenyl)methyl]-4-quinazolinamine | 5-Methoxy-2-methylan

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488187186
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187186
• Sonrisas canónicas: CC1=C(C=C(C=C1)OC)N
• IUPAC Name: 5-methoxy-2-methylaniline
• InChIKey: RPJXLEZOFUNGNZ-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,9H2,1-2H3
• Isómeros SMILES: CC1=C(C=C(C=C1)OC)N
• WGK Alemania: 3
• PubChem CID: 99500
• Peso molecular: 137.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Aminotoluenes Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aminotoluene - Aniline or substituted anilines - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Light sensitive;Air sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 253°C
• Punto de fusión (°C): 42-46°C
• Peso molecular: 137.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 50868-72-9, the molecular formula is C8H11NO, and the molecular weight is 137.18 g/mol. InChIKey RPJXLEZOFUNGNZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.