N,N-Diethylaniline - ≥99%(GC) , CAS No.91-66-7

CAS: 91-66-7 Cat. No.: D111035 Peso molecular: 149.23 Beilstein Registry Number: 742483 Número EC: 202-088-8

GRADE & PURITY ≥99%(GC)

Synonyms

F0001-2220 | MLS002303040 | diethyl aniline | HMS3039C12 | MFCD31699978 | N,N-Diethylaminobenzene | Phenyldiethylamine | NCGC00091331-02 | N,N-Dethylanlne | Diaethylanilin [German] | Benzenamine, N,N-diethyl- | N,N-diethyianiline | Tox21_300569 | HSDB 163

Storage

Protected from light,Room temperature,Argon charged

Shipped In

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Descripción general

N,N-Diethylaniline was used in one-pot synthesis of oxazol-5(4H)-ones. It was used in the synthesis of azo disperse dyes[1]. It was used to prepare 6′-prenylisoflavone via Claisen rearrangement.

Specifications

Sinónimos

F0001-2220 | MLS002303040 | diethyl aniline | HMS3039C12 | MFCD31699978 | N, N-Diethylaminobenzene | Phenyldiethylamine | NCGC00091331-02 | N, N-Dethylanlne | Diaethylanilin [German] | Benzenamine, N, N-diethyl- | N, N-diethyianiline | Tox21_300569 | HSDB 163

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

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Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 488180268
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180268
• Sonrisas canónicas: CCN(CC)C1=CC=CC=C1
• IUPAC Name: N,N-diethylaniline
• InChIKey: GGSUCNLOZRCGPQ-UHFFFAOYSA-N
• INCHI: 1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
• Isómeros SMILES: CCN(CC)C1=CC=CC=C1
• WGK Alemania: 2
• RTECS: BX3400000
• Número ONU: 2432
• Grupo de embalaje: III
• Peso molecular: 149.23
• Beilstein: 742483
• Reaxy-Rn: 742483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742483&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Objetivos asociados (humanos)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with water and acetone. Slightly miscible with chloroform, alcohol and ether.
• Sensibilidad: light sensitive；air sensitive
• Índice de refracción: 1.542
• Punto de inflamación (°F): 190.4 °F
• Punto de inflamación (°C): 92 °C
• Punto de ebullición (°C): 217°C
• Punto de fusión (°C): -38°C
• Peso molecular: 149.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 91.000
• 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

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12. Weijie Ren, Ning Li, Qing Chang, Jie Wu, Jinlong Yang, Shengliang Hu, Zhenhui Kang.  (2024)  Abstracting photogenerated holes from covalent triazine frameworks through carbon dots for overall hydrogen peroxide photosynthesis.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(24)60050-1]

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