Benzenamine, 4-((4-nitrophenyl)methyl)-
TL;DR: Benzenamine, 4-((4-nitrophenyl)methyl)- (CAS 726-17-0) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methyl]aniline
Also Known As: 4-[(4-nitrophenyl)methyl]aniline, 4-(4-Nitrobenzyl)aniline, p-Nitro-p-aminodiphenylmethane, NCIOpen2_005030, 4-(4-nitrobenzyl)benzenamine
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 726-17-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)[N+](=O)[O-])N |
| InChIKey | XTAVQWSBKJAURD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 4-((4-nitrophenyl)methyl)- (CAS 726-17-0), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 4-[(4-nitrophenyl)methyl]aniline.
Chemical Property Profile of Benzenamine, 4-((4-nitrophenyl)methyl)-
Property Insights of Benzenamine, 4-((4-nitrophenyl)methyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-((4-nitrophenyl)methyl)-. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-((4-nitrophenyl)methyl)-. Following Lipinski's Rule of Five, Benzenamine, 4-((4-nitrophenyl)methyl)- 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
Frequently Asked Questions
What is the CAS number of Benzenamine, 4-((4-nitrophenyl)methyl)-?
The CAS number of Benzenamine, 4-((4-nitrophenyl)methyl)- is 726-17-0.
What is the molecular formula of Benzenamine, 4-((4-nitrophenyl)methyl)-?
The molecular formula of Benzenamine, 4-((4-nitrophenyl)methyl)- is C13H12N2O2.
What is the molecular weight of Benzenamine, 4-((4-nitrophenyl)methyl)-?
The molecular weight of Benzenamine, 4-((4-nitrophenyl)methyl)- is 228.09 g/mol.
Where can I buy Benzenamine, 4-((4-nitrophenyl)methyl)-?
You can request a quote for Benzenamine, 4-((4-nitrophenyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-((4-nitrophenyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-((4-nitrophenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.