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

CAS: 121-69-7 Cat. No.: D100063 Formula: C₈H₁₁N Molecular Weight: 121.18 Beilstein Registry Number: 507140 EC Number: 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

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

Specifications & Purity

Distillation grade, ≥99.5%

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Grade

Distillation grade

Purity

≥99.5%

Names and Identifiers

• Pubchem Sid: 488179575
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179575
• Canonical Smiles: 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
• Isomeric SMILES: CN(C)C1=CC=CC=C1
• WGK Germany: 3
• UN Number: 2253
• Packing Group: II
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol, chloroform, ether and dilute mineral acid, soluble in carbon tetrachloride, insoluble in water.
• Sensitivity: Light sensitive.
• Refractive Index: 1.5582
• Flash Point(°F): 167 °F
• Flash Point(°C): 75 °C
• Boil Point(°C): 193-194°C
• Melt Point(°C): 1.5-2.5°C
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does Distillation grade mean?

Distillation grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 121-69-7, the molecular formula is C8H11N, and the molecular weight is 121.18 g/mol. InChIKey JLTDJTHDQAWBAV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.