2,6-Dimethoxyaniline - ≥97% , CAS No.2734-70-5

CAS: 2734-70-5 Cat. No.: D122535 Peso molecular: 153.18 Número EC: 679-090-4

GRADE & PURITY ≥97%

Synonyms

NSC43758 | NSC-43758 | 2,6-dimethoxyphenylamine | Benzenamine, 2,6-dimethoxy- | 2,6-Dimethoxy-phenylamine | STL557229 | EN300-109597 | FT-0600952 | MFCD00053934 | A19804 | 2 6-dimethoxyaniline | 2,6-Dimethoxy aniline | PS-5218 | NSC 43758 | AKOS000302074

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Application

2,6-Dimethylaniline degradation by Fenton process has been studied in depth for the purpose of learning more about the reactions involved in the oxidation of 2,6-dimethylaniline under various reaction conditions. Using a previously developed gas chromatographic-mass spectrometric assay, hemoglobin adducts of 2,6-dimethylaniline were detected covalently bound to rat hemoglobin after administration of either 2,6-dimethylaniline or lidocaine.

Specifications

Sinónimos

NSC43758 | NSC-43758 | 2, 6-dimethoxyphenylamine | Benzenamine, 2, 6-dimethoxy- | 2, 6-Dimethoxy-phenylamine | STL557229 | EN300-109597 | FT-0600952 | MFCD00053934 | A19804 | 2 6-dimethoxyaniline | 2, 6-Dimethoxy aniline | PS-5218 | NSC 43758 | AKOS000302074

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504756294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756294
• Sonrisas canónicas: COC1=C(C(=CC=C1)OC)N
• IUPAC Name: 2,6-dimethoxyaniline
• InChIKey: HQBJSEKQNRSDAZ-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3
• Isómeros SMILES: COC1=C(C(=CC=C1)OC)N
• Peso molecular: 153.18
• Reaxy-Rn: 2803750
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803750&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: Slightly soluble in water.
• Sensibilidad: air sensitive
• Punto de ebullición (°C): 140 °C
• Punto de fusión (°C): 76-78°C
• Peso molecular: 153.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 107.000
• 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

Referencias

1. Kai Wu, Xiaoyang Wu, Yusheng Zhang, Suping Chen, Zi Qiao, Dan Wei, Jing Sun, Hongsong Fan.  (2022)  Semiconvertible Hyaluronic Hydrogel Enabled Red-Light-Responsive Reversible Mechanics, Adhesion, and Self-Healing.  BIOMACROMOLECULES,      [PMID:35029368] [10.1021/acs.biomac.1c01395]

2. Hongchao Yan, Yuan Qiu, Jing Wang, Qian Jiang, Hong Wang, Yonggui Liao, Xiaolin Xie.  (2020)  Wholly Visible-Light-Responsive Host–Guest Supramolecular Gels Based on Methoxy Azobenzene and β-Cyclodextrin Dimers.  LANGMUIR,      [PMID:32486643] [10.1021/acs.langmuir.0c00964]