对氨基二苯胺盐酸盐
TL;DR: 对氨基二苯胺盐酸盐 (CAS 2198-59-6) is a chemical compound with molecular formula C12H13ClN2 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对氨基二苯胺盐酸盐
4-N-phenylbenzene-1,4-diamine;hydrochloride
Also Known As: Eucanine Grey B, 4-Aminodiphenylamine hydrochloride, N1-Phenylbenzene-1,4-diamine hydrochloride, Zoba Grey BR, Fourrine Grey B
| Molecular Formula | C12H13ClN2 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 3.43 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07672 |
| Heavy Atoms | 15 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 2198-59-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl |
| InChIKey | PNEVDCGZQWFIKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对氨基二苯胺盐酸盐 (CAS 2198-59-6), with molecular formula C12H13ClN2 and molecular weight 220.08 g/mol. IUPAC: 4-N-phenylbenzene-1,4-diamine;hydrochloride.
Chemical Property Profile of 对氨基二苯胺盐酸盐
Property Insights of 对氨基二苯胺盐酸盐
The XLogP value of 3.43 indicates that 对氨基二苯胺盐酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, 对氨基二苯胺盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对氨基二苯胺盐酸盐 has 3 hydrogen bond donor(s) and 2 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 对氨基二苯胺盐酸盐?
The CAS number of 对氨基二苯胺盐酸盐 is 2198-59-6.
What is the molecular formula of 对氨基二苯胺盐酸盐?
The molecular formula of 对氨基二苯胺盐酸盐 is C12H13ClN2.
What is the molecular weight of 对氨基二苯胺盐酸盐?
The molecular weight of 对氨基二苯胺盐酸盐 is 220.08 g/mol.
Where can I buy 对氨基二苯胺盐酸盐?
You can request a quote for 对氨基二苯胺盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氨基二苯胺盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 对氨基二苯胺盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.