N-sec-Butyl-2,4-dinitrobenzenamine
TL;DR: N-sec-Butyl-2,4-dinitrobenzenamine (CAS 13059-87-5) is a chemical compound with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-2,4-dinitroaniline
Also Known As: N-sec-Butyl-2,4-dinitrobenzenamine, N-(butan-2-yl)-2,4-dinitroaniline, N-butan-2-yl-2,4-dinitroaniline, (2,4-dinitrophenyl)(methylpropyl)amine, N-(1-Methylpropyl)-2,4-dinitrobenzenamine
| Molecular Formula | C10H13N3O4 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 2.7134 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.0906 |
| Heavy Atoms | 17 |
| Complexity | 447.1772 |
Chemical Identifiers
| CAS Number | 13059-87-5 |
|---|---|
| SMILES | CCC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-sec-Butyl-2,4-dinitrobenzenamine (CAS 13059-87-5), with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol. IUPAC: N-butan-2-yl-2,4-dinitroaniline.
Chemical Property Profile of N-sec-Butyl-2,4-dinitrobenzenamine
Property Insights of N-sec-Butyl-2,4-dinitrobenzenamine
The XLogP value of 2.7134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-sec-Butyl-2,4-dinitrobenzenamine. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-sec-Butyl-2,4-dinitrobenzenamine. Following Lipinski's Rule of Five, N-sec-Butyl-2,4-dinitrobenzenamine has 1 hydrogen bond donor(s) and 5 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-sec-Butyl-2,4-dinitrobenzenamine?
The CAS number of N-sec-Butyl-2,4-dinitrobenzenamine is 13059-87-5.
What is the molecular formula of N-sec-Butyl-2,4-dinitrobenzenamine?
The molecular formula of N-sec-Butyl-2,4-dinitrobenzenamine is C10H13N3O4.
What is the molecular weight of N-sec-Butyl-2,4-dinitrobenzenamine?
The molecular weight of N-sec-Butyl-2,4-dinitrobenzenamine is 239.09 g/mol.
Where can I buy N-sec-Butyl-2,4-dinitrobenzenamine?
You can request a quote for N-sec-Butyl-2,4-dinitrobenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-sec-Butyl-2,4-dinitrobenzenamine?
Yes, KEHONG BIO provides custom synthesis services for N-sec-Butyl-2,4-dinitrobenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.