Dimesitylamine , CAS No.6050-18-6

CAS: 6050-18-6 Cat. No.: D669123 Fórmula: C₁₈H₂₃N Peso molecular: 253.4

Synonyms

dimesitylamine | Benzenamine, 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)- | 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)aniline | DTXSID00458204 | HSXWOKPAUZMPML-UHFFFAOYSA-N | N-Mesityl-2,4,6-trimethylaniline | BDBM50175143

Storage

Room temperature

Specifications

Sinónimos

dimesitylamine | Benzenamine, 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)- | 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)aniline | DTXSID00458204 | HSXWOKPAUZMPML-UHFFFAOYSA-N | N-Mesityl-2,4,6-trimethylaniline | BDBM50175143

Condições de armazenamento de armazenamento

Room temperature

Propriedades do produto

• ALogP: 5.7

Nomes e identificadores

• Sorrisos canónicos: CC1=CC(=C(C(=C1)C)NC2=C(C=C(C=C2C)C)C)C
• IUPAC Name: 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)aniline
• InChIKey: HSXWOKPAUZMPML-UHFFFAOYSA-N
• INCHI: 1S/C18H23N/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6/h7-10,19H,1-6H3
• SMILES isoméricas: CC1=CC(=C(C(=C1)C)NC2=C(C=C(C=C2C)C)C)C
• Peso molecular: 253.4
• Reaxy-Rn: 2218726
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2218726&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary aromatic amines Secondary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Primary aromatic amine - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Not available

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

Alvos associados (humanos)

RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (1 Activities)

Discover Target: RAPGEF4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

Discover Target: RAPGEF3

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 253.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 253.183 Da
• Monoisotopic Mass: 253.183 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 235.000
• 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