Benzeneamine, 4,4',4''-methylidynetris-
4,4',4''-Methanetriyltrianiline · 4,4’,4’’-methylidynetri-anilin · 4,4',4"p-leucaniline · JACS-548-61-8 · p-Leucoaniline · paraleucaniline · leucoparafuchsin · Paraleucoaniline
Identifiers & Physical Properties
| CAS No. | 548-61-8 |
|---|---|
| Molecular formula | C19H19N3 |
| Average molar mass | 289.4 g/mol |
| Monoisotopic mass | 289.15789762 g/mol |
| SMILES | Nc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1 |
| InChIKey | ADUMIBSPEHFSLA-UHFFFAOYSA-N |
| PubChem CID | 68356 |
| ChEMBL | CHEMBL491772 |
| EC No. | 208-952-0 |
| DTXSID | DTXSID10203282 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 78.1 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 269 |
| Melting point | 208°C(lit.) |
| Boiling point | 421.53°C (rough estimate) |
| Density | 1.0545 (rough estimate) |
| Vapor pressure | 0Pa at 25℃ |
| Refractive index | 1.5800 (estimate) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | soluble in Methanol |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 5.56±0.25(Predicted) |
| Color | White to Light yellow to Light red |
| λmax | 298nm(DMSO)(lit.) |
| InChI | InChI=1S/C19H19N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,20-22H2 |
| InChIKey | ADUMIBSPEHFSLA-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(N)C=C1)(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1 |
| FDA UNII | HF739T3GE5 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H317-H412 |
| GHS precautionary statements | P501-P261-P273-P272-P280-P302+P352-P362+P364-P333+P313 |
| UN transport number | 2811 |
| Hazard class | 6.1 |
| Packing group | Ⅲ |
| Customs code | 29214990 |
| REACH registrations | Inactive |
Safety & Regulations
| GHS classification | H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 100 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | REACH registered substance: 4,4',4''-methylidynetrianiline (EC: 208-952-0) |
| Hazard Classes and Categories | Aquatic Chronic 3 (100%) |
| UN transport number | 2811 |
| Customs code | 29214990 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard class | 6.1 |
| Packing group | Ⅲ |
| GHS hazard statements | H317-H412 |
| REACH registrations | Inactive |
| GHS precautionary statements | P501-P261-P273-P272-P280-P302+P352-P362+P364-P333+P313 |
Applications & Uses
Uses
tris(4-aminophenyl)methane is mainly used in the manufacture of poly isocyanate adhesive and polymer isocyanate adhesive is a rubber and metal or a non metal material is the best binder of rubber with various woven objects (natural or synthetic fiber) and leather adhesive is particularly suitable. Polymer isocyanate adhesive is a compound containing isocyanate group (- NCO) can interact with a variety of chemical groups (- Oh, - H, - NH2 or unsaturated substances), thereby the object firmly bonded together and adhesion is quite good, usually at or more than desire bonded non metal material strength. After bonding, the intrinsic bonding force can be maintained at high temperature and moisture, and it is welcomed by users.. Now widely used in aviation machinery, petrochemical, electronic machinery, transportation, construction, light industry and other departments.
Uses
4,4'',4''''-Methanetriyltrianiline is an inhibitor of hepatitis C virus helicase. 4,4'',4''''-Methanetriyltrianiline has a carcinogenic activity and increases the incidence of tumors in the recticuloendothelial system of animals.