N-metil-2-(4-metoxifenil)etilamina - ≥95%(GC)(T) , CAS No.4091-50-3

CAS: 4091-50-3 Cat. No.: N159070 Peso molecular: 165.24 Número EC: 808-145-9

GRADE & PURITY ≥95%(GC)(T)

Synonyms

4-[2-(Metilamino)etil]anisol | AB07595 | N,O-dimetiltiramina | 4-Metoxi-N-metilbencenoetanamina | 4-metoxi-N-metilbencenoetanamina | C10H15NO | N-metil-p-metoxifenetilamina | N-metil-2-(4-metoxifenil)etilamina | AC-2678 | DTXSID80193904

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-[2-(Metilamino)etil]anisol | AB07595 | N, O-dimetiltiramina | 4-Metoxi-N-metilbencenoetanamina | 4-metoxi-N-metilbencenoetanamina | C10H15NO | N-metil-p-metoxifenetilamina | N-metil-2-(4-metoxifenil)etilamina | AC-2678 | DTXSID80193904

Especificaciones y pureza

≥95%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 488187369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187369
• Sonrisas canónicas: CNCCC1=CC=C(C=C1)OC
• IUPAC Name: 2-(4-methoxyphenyl)-N-methylethanamine
• InChIKey: JCMWSVNNSPUNER-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-6,11H,7-8H2,1-2H3
• Isómeros SMILES: CNCCC1=CC=C(C=C1)OC
• RTECS: SH8110000
• Peso molecular: 165.24
• Reaxy-Rn: 2413387
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413387&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Secondary aliphatic amine - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• External Descriptors: aromatic ether - secondary amino compound

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: Air Sensitive
• Índice de refracción: 1.52
• Punto de inflamación (°C): 99 °C
• Punto de ebullición (°C): 83 °C/2 mmHg
• Peso molecular: 165.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115 Da
• Monoisotopic Mass: 165.115 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 108.000
• 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