3-Nitro-N-phenylbenzenamine
TL;DR: 3-Nitro-N-phenylbenzenamine (CAS 4531-79-7) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-N-phenylaniline
Also Known As: 3-nitro-N-phenylaniline, 3-Nitrodiphenylamine, 3-NITRO-N-PHENYLBENZENAMINE, m-Nitrodiphenylamine, Diphenylamine, 3-nitro-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.07423 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.07423 Da |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
| SMILES | C1=CC=C(C=C1)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | VNRHTFXMONFRSL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-N-phenylbenzenamine
Property Insights of 3-Nitro-N-phenylbenzenamine
The XLogP value of 3.7 indicates that 3-Nitro-N-phenylbenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 3-Nitro-N-phenylbenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitro-N-phenylbenzenamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitro-N-phenylbenzenamine?
The CAS number of 3-Nitro-N-phenylbenzenamine is 4531-79-7.
What is the molecular formula of 3-Nitro-N-phenylbenzenamine?
The molecular formula of 3-Nitro-N-phenylbenzenamine is C12H10N2O2.
What is the molecular weight of 3-Nitro-N-phenylbenzenamine?
The molecular weight of 3-Nitro-N-phenylbenzenamine is 214.07423 g/mol.
Where can I buy 3-Nitro-N-phenylbenzenamine?
You can request a quote for 3-Nitro-N-phenylbenzenamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-N-phenylbenzenamine?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-N-phenylbenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.