4-硝基-1,3-苯二胺
TL;DR: 4-硝基-1,3-苯二胺 (CAS 5131-58-8) is a chemical compound with molecular formula C6H7N3O2 and molecular weight 153.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基-1,3-苯二胺
4-nitrobenzene-1,3-diamine
Also Known As: 4-nitrobenzene-1,3-diamine, 4-Nitro-1,3-phenylenediamine, 4-Nitro-m-phenylenediamine, 2,4-Diaminonitrobenzene, 1,3-Diamino-4-nitrobenzene
| Molecular Formula | C6H7N3O2 |
|---|---|
| Molecular Weight | 153.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.05383 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
| Melting Point | 161.1 °C |
| Solubility | less than 1 mg/mL at 68.9 °F (NTP, 1992) |
| Vapor Pressure | 0.000056 [mmHg] |
Chemical Identifiers
| CAS Number | 5131-58-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)N)[N+](=O)[O-] |
| InChIKey | DPIZKMGPXNXSGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基-1,3-苯二胺 (CAS 5131-58-8), with molecular formula C6H7N3O2 and molecular weight 153.05 g/mol. IUPAC: 4-nitrobenzene-1,3-diamine.
Chemical Property Profile of 4-硝基-1,3-苯二胺
Property Insights of 4-硝基-1,3-苯二胺
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基-1,3-苯二胺. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基-1,3-苯二胺. Following Lipinski's Rule of Five, 4-硝基-1,3-苯二胺 has 2 hydrogen bond donor(s) and 4 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 4-硝基-1,3-苯二胺?
The CAS number of 4-硝基-1,3-苯二胺 is 5131-58-8.
What is the molecular formula of 4-硝基-1,3-苯二胺?
The molecular formula of 4-硝基-1,3-苯二胺 is C6H7N3O2.
What is the molecular weight of 4-硝基-1,3-苯二胺?
The molecular weight of 4-硝基-1,3-苯二胺 is 153.05 g/mol.
Where can I buy 4-硝基-1,3-苯二胺?
You can request a quote for 4-硝基-1,3-苯二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基-1,3-苯二胺?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基-1,3-苯二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.