N-butyl-3-nitroaniline
TL;DR: N-butyl-3-nitroaniline (CAS 98326-78-4) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-3-nitroaniline
Also Known As: N-butyl-3-nitroaniline, N-butyl-3-nitro-aniline, J1.853.369C
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 2.8068 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 312.74524 |
Chemical Identifiers
| CAS Number | 98326-78-4 |
|---|---|
| SMILES | CCCCNC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
N-butyl-3-nitroaniline (CAS 98326-78-4), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: N-butyl-3-nitroaniline.
Chemical Property Profile of N-butyl-3-nitroaniline
Property Insights of N-butyl-3-nitroaniline
The XLogP value of 2.8068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-3-nitroaniline. With a topological polar surface area (TPSA) of 55.17 Ų, N-butyl-3-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-3-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
Frequently Asked Questions
What is the CAS number of N-butyl-3-nitroaniline?
The CAS number of N-butyl-3-nitroaniline is 98326-78-4.
What is the molecular formula of N-butyl-3-nitroaniline?
The molecular formula of N-butyl-3-nitroaniline is C10H14N2O2.
What is the molecular weight of N-butyl-3-nitroaniline?
The molecular weight of N-butyl-3-nitroaniline is 194.11 g/mol.
Where can I buy N-butyl-3-nitroaniline?
You can request a quote for N-butyl-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.