![3-chloro-N-[(3-nitrophenyl)methyl]aniline structure](/static/products/4360/436089-10-0.webp)
3-chloro-N-[(3-nitrophenyl)methyl]aniline
TL;DR: 3-chloro-N-[(3-nitrophenyl)methyl]aniline (CAS 436089-10-0) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(3-nitrophenyl)methyl]aniline
Also Known As: 3-chloro-N-(3-nitrobenzyl)aniline, 3-chloro-N-[(3-nitrophenyl)methyl]aniline, N/A
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.8603 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 572.4226 |
Chemical Identifiers
| CAS Number | 436089-10-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC(=CC=C2)Cl |
Product Overview
3-chloro-N-[(3-nitrophenyl)methyl]aniline (CAS 436089-10-0), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: 3-chloro-N-[(3-nitrophenyl)methyl]aniline.
Chemical Property Profile of 3-chloro-N-[(3-nitrophenyl)methyl]aniline
Property Insights of 3-chloro-N-[(3-nitrophenyl)methyl]aniline
The XLogP value of 3.8603 indicates that 3-chloro-N-[(3-nitrophenyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 3-chloro-N-[(3-nitrophenyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[(3-nitrophenyl)methyl]aniline 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 3-chloro-N-[(3-nitrophenyl)methyl]aniline?
The CAS number of 3-chloro-N-[(3-nitrophenyl)methyl]aniline is 436089-10-0.
What is the molecular formula of 3-chloro-N-[(3-nitrophenyl)methyl]aniline?
The molecular formula of 3-chloro-N-[(3-nitrophenyl)methyl]aniline is C13H11ClN2O2.
What is the molecular weight of 3-chloro-N-[(3-nitrophenyl)methyl]aniline?
The molecular weight of 3-chloro-N-[(3-nitrophenyl)methyl]aniline is 262.05 g/mol.
Where can I buy 3-chloro-N-[(3-nitrophenyl)methyl]aniline?
You can request a quote for 3-chloro-N-[(3-nitrophenyl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[(3-nitrophenyl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(3-nitrophenyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.