3-Methylbenzamide oxime - ≥98% , CAS No.40067-82-1

CAS: 40067-82-1 Cat. No.: N184306 Peso molecular: 150.2 Número EC: 621-226-1

GRADE & PURITY ≥98%

Synonyms

3-Methylbenzamidoxime | A824883 | N'-hydroxy-3-methylbenzimidamide | n-hydroxy-3-methylbenzimidamide | BBL006558 | N'-Hydroxy-3-methylbenzenecarboximidamide # | 3-Methylbenzamide oxime | PS-3175 | N'-Hydroxy-3-methylbenzenecarboximidamide | N-Hydroxy-3-me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product introduction

3-methyl Benzamideoxime is a synthetic intermediate useful for pharmaceutical synthesis.

Specifications

Sinónimos

3-Methylbenzamidoxime | A824883 | N'-hydroxy-3-methylbenzimidamide | n-hydroxy-3-methylbenzimidamide | BBL006558 | N'-Hydroxy-3-methylbenzenecarboximidamide # | 3-Methylbenzamide oxime | PS-3175 | N'-Hydroxy-3-methylbenzenecarboximidamide | N-Hydroxy-3-me

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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: 504764838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764838
• Sonrisas canónicas: CC1=CC(=CC=C1)C(=NO)N
• IUPAC Name: N'-hydroxy-3-methylbenzenecarboximidamide
• InChIKey: KJMNPGUHEUTHMR-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
• Isómeros SMILES: CC1=CC(=CC=C1)/C(=N/O)/N
• WGK Alemania: 3
• Peso molecular: 150.2
• Reaxy-Rn: 2327313
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2327313&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Amidoximes Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Amidoxime - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 20 mg/ml in DMF&DMSO; 10 mg/ml in ethanol；0.3 mg/ml in PBS (pH 7.2)
• Punto de fusión (°C): 82-87 °C
• Peso molecular: 150.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.079 Da
• Monoisotopic Mass: 150.079 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1