2,6-Dimethylaniline - analytical standard , CAS No.87-62-7

CAS: 87-62-7 Cat. No.: D105634 Molecular Weight: 121.18 Beilstein Registry Number: 121107 EC Number: 201-758-7

GRADE & PURITY Analytical standard

Synonyms

EC 201-758-7 | 1092805-08-7 | 2,6-Dimethylaniline | 2,6-Dimethyl-aniline | CAS-87-62-7 | (2,6-dimethylphenyl)amine | (2,6-dimethyl-phenyl)-amine | D0669 | 2,6-DMA | 2-Amino-m-xylene | EINECS 201-758-7 | AKOS000120115 | Aniline, 2,6-dimethyl- | Aniline,6-d

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

EC 201-758-7 | 1092805-08-7 | 2, 6-Dimethylaniline | 2, 6-Dimethyl-aniline | CAS-87-62-7 | (2, 6-dimethylphenyl)amine | (2, 6-dimethyl-phenyl)-amine | D0669 | 2, 6-DMA | 2-Amino-m-xylene | EINECS 201-758-7 | AKOS000120115 | Aniline, 2, 6-dimethyl- | Aniline, 6-d

Specifications & Purity

analytical standard

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Pubchem Sid: 504751195
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751195
• Canonical Smiles: CC1=C(C(=CC=C1)C)N
• IUPAC Name: 2,6-dimethylaniline
• InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
• Isomeric SMILES: CC1=C(C(=CC=C1)C)N
• WGK Germany: 2
• RTECS: ZE9275000
• UN Number: 1711
• Packing Group: II
• Molecular Weight: 121.18
• Beilstein: 121107
• Reaxy-Rn: 636332
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636332&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• External Descriptors: primary arylamine - dimethylaniline

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(non-human)

Salmonella typhimurium (15756 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light & Air Sensitive
• Freezing Point(°C): 10 °C
• Refractive Index: 1.56
• Flash Point(°F): 195.8 °F
• Flash Point(°C): 91 °C
• Boil Point(°C): 214°C
• Melt Point(°C): 10-12°C
• Molecular Weight: 121.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• 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

References

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