Diphenylamine hydrochloride
TL;DR: Diphenylamine hydrochloride (CAS 537-67-7) is a chemical compound with molecular formula C12H12ClN and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylaniline;hydrochloride
Also Known As: Diphenylamine hydrochloride, N-phenylaniline hydrochloride, Task, Diphenylammonium chloride, DIPHENYLAMINE HCL
| Molecular Formula | C12H12ClN |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 3.85 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06583 |
| Heavy Atoms | 14 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 537-67-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2.Cl |
| InChIKey | JEFJSEIUEJBMSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenylamine hydrochloride (CAS 537-67-7), with molecular formula C12H12ClN and molecular weight 205.07 g/mol. IUPAC: N-phenylaniline;hydrochloride.
Chemical Property Profile of Diphenylamine hydrochloride
Property Insights of Diphenylamine hydrochloride
The XLogP value of 3.85 indicates that Diphenylamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Diphenylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylamine hydrochloride has 2 hydrogen bond donor(s) and 1 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 Diphenylamine hydrochloride?
The CAS number of Diphenylamine hydrochloride is 537-67-7.
What is the molecular formula of Diphenylamine hydrochloride?
The molecular formula of Diphenylamine hydrochloride is C12H12ClN.
What is the molecular weight of Diphenylamine hydrochloride?
The molecular weight of Diphenylamine hydrochloride is 205.07 g/mol.
Where can I buy Diphenylamine hydrochloride?
You can request a quote for Diphenylamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenylamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Diphenylamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.