N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine
TL;DR: N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine (CAS 4117-90-2) is a chemical compound with molecular formula C18H17N3 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-aminophenyl)-4-N-phenylbenzene-1,4-diamine
Also Known As: bis(4-aminophenyl)phenylamine, 4,4'-Diaminotriphenylamine, 1,4-Benzenediamine, N-(4-aminophenyl)-N-phenyl-, N1-(4-AMINOPHENYL)-N1-PHENYLBENZENE-1,4-DIAMINE, Phenylbis(4-aminophenyl)amine
| Molecular Formula | C18H17N3 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.14224 |
| Heavy Atoms | 21 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 4117-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N |
| InChIKey | YFBMJEBQWQBRQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine (CAS 4117-90-2), with molecular formula C18H17N3 and molecular weight 275.14 g/mol. IUPAC: 4-N-(4-aminophenyl)-4-N-phenylbenzene-1,4-diamine.
Chemical Property Profile of N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine
Property Insights of N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine
The XLogP value of 4.4 indicates that N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine?
The CAS number of N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine is 4117-90-2.
What is the molecular formula of N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine?
The molecular formula of N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine is C18H17N3.
What is the molecular weight of N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine?
The molecular weight of N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine is 275.14 g/mol.
Where can I buy N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine?
You can request a quote for N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.