Basic information
- CAS
548-61-8- Standard SMILES
Nc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1- InChIKey
ADUMIBSPEHFSLA-UHFFFAOYSA-N- Molecular formula
- C19H19N3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.15789762
Names & identifiers
- Preferred name
- Benzeneamine, 4,4',4''-methylidynetris-
- IUPAC
- 4-[bis(4-aminophenyl)methyl]aniline
- English name
- Tris(4-aminophenyl)methane
- Molecular formula
- C19H19N3
- Molecular weight
- 289.37
Names & synonyms
548-61-8Tris(4-aminophenyl)methaneLeucoparafuchsineLeucoparafuchsinTriaminotriphenylmethane4,4',4''-Methylidynetrianilinep,p',p''-Triaminotriphenylmethane4,4',4''-TriaminotriphenylmethaneEINECS 208-952-0Tris-4-aminofenylmethanMethane, tris(4-aminophenyl)-Tris-4-aminofenylmethan [Czech]
Show more names
4,4',4''-Methanetriyltrianiline4,4’,4’’-methylidynetri-anilin4,4',4"p-leucanilineJACS-548-61-8p-LeucoanilineparaleucanilineParaleucoaniline
BRN 28113144,4',4''-MethylidynetrisbenzeneamineAniline, 4,4',4''-methylidynetri-HF739T3GE5Benzeneamine, 4,4',4''-methylidynetris-DTXSID10203282EC 208-952-04-13-00-00525 (Beilstein Handbook Reference)
Database identifiers
- CAS
548-61-8- PubChem CID
- 68356
- DTXSID
DTXSID10203282- ChEMBL
CHEMBL491772
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 208 °C · 208°C(lit.)
- Boiling point
- 421.53 °C · 421.53°C (rough estimate)
- Density
- 1.0545 · 1.0545 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 5.56 · 5.56±0.25(Predicted)
- color
- White to Light yellow to Light red
- λmax
- 298 nm · 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
- 739 T3GE5 · HF739T3GE5
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Regulatory InformationREACH registered substance: 4,4',4''-methylidynetrianiline (EC: 208-952-0)
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Safety data
- ridadr
- 2811
- hs_code
- 29214990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- packing_group
- Ⅲ
- Hazard statements
- H317-H412
- REACH Registrations
- Inactive
- Precautionary statements
- P501-P261-P273-P272-P280-P302+P352-P362+P364-P333+P313
Chemistry & industry
Applications
Usestris(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.
Uses4,4'',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.
Upstream & downstream products
Downstream products
Suppliers90 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
Related reactions
1 records
Compound notes
Loading…