N,N-Dimethylaniline - Distillation grade, ≥99.5% , CAS No.121-69-7

CAS: 121-69-7 Cat. No.: D100063 Peso molecular: 121.18 Beilstein Registry Number: 507140 Número EC: 204-493-5

GRADE & PURITY Distillation grade, ≥99.5%

Synonyms

Dwumetyloanilina [Polish] | Dimethylaniline, N,N- | EINECS 204-493-5 | N,N-DIMETHYLANILINE [EP IMPURITY] | N,N-Dimethyl-N-phenylamine # | NCGC00254056-01 | Q310473 | N,N-Dimethylaniline, purified by redistillation, >=99.5% | PhNMe2 | CCRIS 2381 | N,N-DIME

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

Dwumetyloanilina [Polish] | Dimethylaniline, N, N- | EINECS 204-493-5 | N, N-DIMETHYLANILINE [EP IMPURITY] | N, N-Dimethyl-N-phenylamine # | NCGC00254056-01 | Q310473 | N, N-Dimethylaniline, purified by redistillation, >=99.5% | PhNMe2 | CCRIS 2381 | N, N-DIME

Especificaciones y pureza

Distillation grade, ≥99.5%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Distillation grade

Pureza

≥99.5%

Nombres e identificadores

• Pubchem Sid: 488179575
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179575
• Sonrisas canónicas: CN(C)C1=CC=CC=C1
• IUPAC Name: N,N-dimethylaniline
• InChIKey: JLTDJTHDQAWBAV-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
• Isómeros SMILES: CN(C)C1=CC=CC=C1
• WGK Alemania: 3
• Número ONU: 2253
• Grupo de embalaje: II
• Peso molecular: 121.18
• Beilstein: 507140
• Reaxy-Rn: 507140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507140&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: a small molecule

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)

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, chloroform, ether and dilute mineral acid, soluble in carbon tetrachloride, insoluble in water.
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.5582
• Punto de inflamación (°F): 167 °F
• Punto de inflamación (°C): 75 °C
• Punto de ebullición (°C): 193-194°C
• Punto de fusión (°C): 1.5-2.5°C
• Peso molecular: 121.180 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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

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