2,6-Dimethylaniline - ≥99% , CAS No.87-62-7

CAS: 87-62-7 Cat. No.: D105633 Formule: C₈H₁₁N Poids moléculaire: 121.18 Beilstein Registry Number: 121107 Numéro CE: 201-758-7

QUALITÉ & PURETÉ ≥99%

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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488180194

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180194

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

2

RTECS

ZE9275000

Numéro ONU

1711

Groupe d'emballage

II

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Cibles associées (non humaines)

Salmonella typhimurium (15756 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly miscible with water. Miscible with ethanol and diethyl ether.
• Sensibilité: Light & Air Sensitive
• Point de congélation (°C): 10 °C
• Indice de réfraction: 1.56
• Point d'éclair (°F): 195.8 °F
• Point d'éclair (°C): 91 °C
• Point d'ébullition (°C): 214°C
• Point de fusion (°C): 10-12°C
• Poids moléculaire: 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