N,N-Dimethylaniline - AR, ≥99% , CAS No.121-69-7

CAS: 121-69-7 Cat. No.: D100061 Fórmula: C₈H₁₁N Peso molecular: 121.18 Beilstein Registry Number: 507140 Número CE: 204-493-5

GRADE & PURITY AR, ≥99%

Synonyms

DMA | 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,

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Visão geral

N,N-Dimethylaniline is a tertiary amine used in the synthesis of several triarylmethane dyes like malachite green.It is also used in the synthesis of a magnetic gram stain for the detection of bacteria.

Specifications

Sinónimos

DMA | 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,

Especificações e pureza

AR, ≥99%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

FedEx DG Service

Grau

AR

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508810776

Sorrisos canónicos

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

SMILES isoméricas

CN(C)C1=CC=CC=C1

WGK Alemanha

3

Número UN

2253

Grupo de embalagem

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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Alvos associados (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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (1.2 g/l) at 20 °C, ethanol, ether, acetone, chloroform, benzene, and Alkaline.
• Sensibilidade: air & Light sensitive
• Índice de refração: 1.5582
• Ponto de inflamação (°F): 167 °F
• Ponto de inflamação (°C): 75 °C
• Ponto de ebulição (°C): 193-194°C
• Ponto de fusão (°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