N-Ethyl-p-toluidine - ≥98% , CAS No.622-57-1

CAS: 622-57-1 Cat. No.: N158982 Peso molecular: 135.21 Beilstein Registry Number: 12(3)2027 Número EC: 210-742-9

GRADE & PURITY ≥98%

Synonyms

N-Ethyl-4-methyl-benzenamine | BS-42310 | DTXSID7060754 | FT-0632613 | N-Ethyl-N-(4-methylphenyl)amine # | SCHEMBL247849 | N-Ethyl-N-(4-methylphenyl)amine | MFCD00035793 | EINECS 210-742-9 | Q63391562 | NSC8889 | NSC-8889 | p-Methyl-N-ethylaniline | NSC 8

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

N-Ethyl-4-methyl-benzenamine | BS-42310 | DTXSID7060754 | FT-0632613 | N-Ethyl-N-(4-methylphenyl)amine # | SCHEMBL247849 | N-Ethyl-N-(4-methylphenyl)amine | MFCD00035793 | EINECS 210-742-9 | Q63391562 | NSC8889 | NSC-8889 | p-Methyl-N-ethylaniline | NSC 8

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

FedEx DG Service

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: 488183450
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183450
• Sonrisas canónicas: CCNC1=CC=C(C=C1)C
• IUPAC Name: N-ethyl-4-methylaniline
• InChIKey: AASABFUMCBTXRL-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
• Isómeros SMILES: CCNC1=CC=C(C=C1)C
• Número ONU: 2754
• Grupo de embalaje: II
• Peso molecular: 135.21
• Beilstein: 12(3)2027
• Reaxy-Rn: 742172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742172&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: Aminotoluenes
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Ether,Alcohol
• Sensibilidad: Air sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°C): 89°C
• Punto de ebullición (°C): 222°C
• Peso molecular: 135.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 82.700
• 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