2,4,6-Triphenylaniline - CAS 6864-20-6
Catalog: |
BB033605 |
Product Name: |
2,4,6-Triphenylaniline |
CAS: |
6864-20-6 |
Synonyms: |
5'-Phenyl-[1,1':3',1''-terphenyl]-2'-amine |
IUPAC Name: | 2,4,6-triphenylaniline |
Description: | 2,4,6-Triphenylaniline is a marine derived natural product found in Alternaria longipes. |
Molecular Weight: | 321.41 |
Molecular Formula: | C24H19N |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)N)C4=CC=CC=C4 |
InChI: | InChI=1S/C24H19N/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H,25H2 |
InChI Key: | AGWKGKUGJDMKMT-UHFFFAOYSA-N |
Boiling Point: | 465.4 °C at 760 mmHg |
Melting Point: | 122-125 °C |
Purity: | 95 % |
Density: | 1.117 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00012371 |
LogP: | 6.85100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111303325-A | Efficient controllable preparation method of polyisoprene | 20200327 |
EP-3798225-A1 | Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device | 20190926 |
WO-2021058406-A1 | Materials for organic electroluminescent devices | 20190924 |
EP-3772517-A1 | Organometallic compound, organic light-emitting device including same, and diagnostic composition including same | 20190809 |
EP-3750899-A1 | Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound | 20190613 |
PMID | Publication Date | Title | Journal |
21587990 | 20100626 | 2,4,6-Triphenyl-aniline | Acta crystallographica. Section E, Structure reports online |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.151749610 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.151749610 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.1 |
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