N-benzyl-4-chloro-2-nitroaniline
TL;DR: N-benzyl-4-chloro-2-nitroaniline (CAS 10066-18-9) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-4-chloro-2-nitroaniline
Also Known As: N-benzyl-4-chloro-2-nitroaniline, Benzenemethanamine, N-(4-chloro-2-nitrophenyl)-, N-benzyl-4-chloro-2-nitro-aniline, N-benzyl-4-chloro-2-nitrobenzenamine, 8F-306S
Technical Specifications
| Molecular Formula | C13H11ClN2O2 |
| Molecular Weight | 262.0509 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0509 Da |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
| SMILES | C1=CC=C(C=C1)CNC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | LTSBSRAZIKXNMH-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-4-chloro-2-nitroaniline
Property Insights of N-benzyl-4-chloro-2-nitroaniline
The XLogP value of 4.4 indicates that N-benzyl-4-chloro-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, N-benzyl-4-chloro-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-4-chloro-2-nitroaniline 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 N-benzyl-4-chloro-2-nitroaniline?
The CAS number of N-benzyl-4-chloro-2-nitroaniline is 10066-18-9.
What is the molecular formula of N-benzyl-4-chloro-2-nitroaniline?
The molecular formula of N-benzyl-4-chloro-2-nitroaniline is C13H11ClN2O2.
What is the molecular weight of N-benzyl-4-chloro-2-nitroaniline?
The molecular weight of N-benzyl-4-chloro-2-nitroaniline is 262.0509 g/mol.
Where can I buy N-benzyl-4-chloro-2-nitroaniline?
You can request a quote for N-benzyl-4-chloro-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-4-chloro-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for N-benzyl-4-chloro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.