5-Nitro-1,3-benzenediamine
TL;DR: 5-Nitro-1,3-benzenediamine (CAS 5042-55-7) is a chemical compound with molecular formula C6H7N3O2 and molecular weight 153.05383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitrobenzene-1,3-diamine
Also Known As: 5-Nitrobenzene-1,3-diamine, 3,5-Diaminonitrobenzene, 5-nitro-m-phenylenediamine, 1,3-Benzenediamine, 5-nitro-, 1,3-Diamino-5-nitrobenzene
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H7N3O2 |
| Molecular Weight | 153.05383 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.05383 Da |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
| SMILES | C1=C(C=C(C=C1N)[N+](=O)[O-])N |
| InChIKey | DFWXYHZQNLIBLY-UHFFFAOYSA-N |
Chemical Property Profile of 5-Nitro-1,3-benzenediamine
Property Insights of 5-Nitro-1,3-benzenediamine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-1,3-benzenediamine. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-1,3-benzenediamine. Following Lipinski's Rule of Five, 5-Nitro-1,3-benzenediamine 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
What is the CAS number of 5-Nitro-1,3-benzenediamine?
The CAS number of 5-Nitro-1,3-benzenediamine is 5042-55-7.
What is the molecular formula of 5-Nitro-1,3-benzenediamine?
The molecular formula of 5-Nitro-1,3-benzenediamine is C6H7N3O2.
What is the molecular weight of 5-Nitro-1,3-benzenediamine?
The molecular weight of 5-Nitro-1,3-benzenediamine is 153.05383 g/mol.
Where can I buy 5-Nitro-1,3-benzenediamine?
You can request a quote for 5-Nitro-1,3-benzenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Nitro-1,3-benzenediamine?
Yes, CoreyChem provides custom synthesis services for 5-Nitro-1,3-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.