N-Methyl-p-anisidine - ≥96%(GC) , CAS No.5961-59-1

CAS: 5961-59-1 Cat. No.: I133933 Peso molecular: 137.18 Beilstein Registry Number: 13(4)1039 Número EC: 227-735-1

GRADE & PURITY ≥96%(GC)

Synonyms

(4-methoxy-phenyl)-methylamine | (4-methoxy-phenyl)-methyl-amine | (4-methoxyphenyl)-methylamine | (4-methoxy phenyl)-methyl-amine | 4-Methoxy-N-methylaniline | N-Methyl-4-methoxyaniline | N-methyl-4-methoxy-aniline | N-(4-methoxy-phenyl)-N-methyl-amine |

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

It was used to study the additive effects of amines.

Specifications

Sinónimos

(4-methoxy-phenyl)-methylamine | (4-methoxy-phenyl)-methyl-amine | (4-methoxyphenyl)-methylamine | (4-methoxy phenyl)-methyl-amine | 4-Methoxy-N-methylaniline | N-Methyl-4-methoxyaniline | N-methyl-4-methoxy-aniline | N-(4-methoxy-phenyl)-N-methyl-amine |

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504753075
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753075
• Sonrisas canónicas: CNC1=CC=C(C=C1)OC
• IUPAC Name: 4-methoxy-N-methylaniline
• InChIKey: JFXDIXYFXDOZIT-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3
• Isómeros SMILES: CNC1=CC=C(C=C1)OC
• WGK Alemania: 3
• Peso molecular: 137.18
• Beilstein: 13(4)1039
• Reaxy-Rn: 774640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774640&ln=

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 Phenylalkylamines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - 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
• Índice de refracción: 1.56
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 136°C/19mmHg
• Punto de fusión (°C): 33-36°C
• Peso molecular: 137.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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. Wenfeng Zhao, Xiaoping Chi, Hu Li, Jian He, Jingxuan Long, Yufei Xu, Song Yang.  (2018)  Eco-friendly acetylcholine-carboxylate bio-ionic liquids for controllable N-methylation and N-formylation using ambient CO2 at low temperatures.  GREEN CHEMISTRY,  21  (3): (567-577).  [PMID:] [10.1039/C8GC03549K]