Triphenylmethylamine - ≥97% , CAS No.5824-40-8

CAS: 5824-40-8 Cat. No.: T106627 Peso molecular: 259.34 Beilstein Registry Number: 2113674 Número EC: 628-686-2 PubChem CID: 138598

GRADE & PURITY ≥97%

Synonyms

1-Chloromethyl-4-nitrobenzene | AM20040776 | NSC1154 | NSC-1154 | UR7TF3NW3P | tritylamin | triphenyl methylamine | 4-methoxylbenzoic acid | AS-13269 | Triphenylmethanamine | Triphenylmethanamine # | T0517 | DTXSID30206972 | Triphenylaminomethane | Triphe

Storage

Room temperature

Shipped In

Normal

Descripción general

Triphenylmethylamine was used to prepare diamondoid porous organic salt.It was also used in preparation of N-tritylated β-aminoalcohols, useful building blocks in organic synthesis.

Specifications

Sinónimos

1-Chloromethyl-4-nitrobenzene | AM20040776 | NSC1154 | NSC-1154 | UR7TF3NW3P | tritylamin | triphenyl methylamine | 4-methoxylbenzoic acid | AS-13269 | Triphenylmethanamine | Triphenylmethanamine # | T0517 | DTXSID30206972 | Triphenylaminomethane | Triphe

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488188009
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188009
• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N
• IUPAC Name: triphenylmethanamine
• InChIKey: BZVJOYBTLHNRDW-UHFFFAOYSA-N
• INCHI: 1S/C19H17N/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N
• WGK Alemania: 3
• PubChem CID: 138598
• Peso molecular: 259.34
• Beilstein: 2113674
• Reaxy-Rn: 2113674

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Aralkylamine - Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl 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

Objetivos asociados (humanos)

KCNN4 Tchem Intermediate conductance calcium-activated potassium channel protein 4 (1 Activities)

Discover Target: KCNN4

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

KCNN4 Tchem Intermediate conductance calcium-activated potassium channel protein 4 (87 Activities)

Discover Target: KCNN4

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform, methanol. Insoluble in water.
• Sensibilidad: Air sensitive.
• Punto de ebullición (°C): 223°C
• Punto de fusión (°C): 102-104°C
• Peso molecular: 259.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 259.136 Da
• Monoisotopic Mass: 259.136 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 20
• 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

Referencias

1. Yaqin Wu, Xiaoye Wen, Zhefeng Fan.  (2019)  An AIE active pyrene based fluorescent probe for selective sensing Hg2+ and imaging in live cells.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:31277030] [10.1016/j.saa.2019.117315]