4-Nitrotriphenylamine
TL;DR: 4-Nitrotriphenylamine (CAS 864849-75-2) is a chemical compound with molecular formula C18H14N2O2 and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N,N-diphenylaniline
Also Known As: 4-Nitro-N,N-diphenylaniline, 4-Nitrotriphenylamine, 4-Nitrophenyl diphenylamine, p-nitrotriphenylamine, 4-Nitro-triphenylamine
| Molecular Formula | C18H14N2O2 |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.10553 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 864849-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | UQOKZDUUBVGFAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrotriphenylamine (CAS 864849-75-2), with molecular formula C18H14N2O2 and molecular weight 290.11 g/mol. IUPAC: 4-nitro-N,N-diphenylaniline.
Chemical Property Profile of 4-Nitrotriphenylamine
Property Insights of 4-Nitrotriphenylamine
The XLogP value of 5.6 indicates that 4-Nitrotriphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 4-Nitrotriphenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrotriphenylamine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitrotriphenylamine?
The CAS number of 4-Nitrotriphenylamine is 864849-75-2.
What is the molecular formula of 4-Nitrotriphenylamine?
The molecular formula of 4-Nitrotriphenylamine is C18H14N2O2.
What is the molecular weight of 4-Nitrotriphenylamine?
The molecular weight of 4-Nitrotriphenylamine is 290.11 g/mol.
Where can I buy 4-Nitrotriphenylamine?
You can request a quote for 4-Nitrotriphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrotriphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrotriphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.