N,N-Dimethylaniline - Standard for GC, ≥99.5%(GC) , CAS No.121-69-7

CAS: 121-69-7 Cat. No.: D100060 Formule: C₈H₁₁N Poids moléculaire: 121.18 Beilstein Registry Number: 507140 Numéro CE: 204-493-5

QUALITÉ & PURETÉ Standard for GC, ≥99.5%(GC)

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

Spécifications

Synonymes

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

Spécifications et pureté

Standard for GC, ≥99.5%(GC)

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

FedEx DG Service

Grade

Standard for GC

Pureté

≥99.5%(GC)

Noms et identifiants

Pubchem Sid

508810777

Sourires canoniques

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

Isomères SMILES

CN(C)C1=CC=CC=C1

WGK Allemagne

3

Numéro ONU

2253

Groupe d'emballage

II

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol, chloroform, ether and dilute mineral acid, soluble in carbon tetrachloride, insoluble in water.
• Sensibilité: Light sensitive.
• Indice de réfraction: 1.5582
• Point d'éclair (°F): 167 °F
• Point d'éclair (°C): 75 °C
• Point d'ébullition (°C): 193-194°C
• Point de fusion (°C): 1.5-2.5°C
• Poids moléculaire: 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