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

CAS: 87-62-7 Cat. No.: D105634 Fórmula: C₈H₁₁N Peso molecular: 121.18 Beilstein Registry Number: 121107 Número EC: 201-758-7

CALIDAD & PUREZA 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

Especificaciones

Sinónimos

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

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

FedEx DG Service

Grado

Patrón analítico

Nombres e identificadores

Pubchem Sid

504751195

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751195

Sonrisas canónicas

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

Isómeros SMILES

CC1=C(C(=CC=C1)C)N

WGK Alemania

2

RTECS

ZE9275000

Número ONU

1711

Grupo de embalaje

II

Peso molecular

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
    • Clase Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Salmonella typhimurium (15756 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light & Air Sensitive
• Punto de congelación (°C): 10 °C
• Índice de refracción: 1.56
• Punto de inflamación (°F): 195.8 °F
• Punto de inflamación (°C): 91 °C
• Punto de ebullición (°C): 214°C
• Punto de fusión (°C): 10-12°C
• Peso molecular: 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