Benzenamine, N-(1-methylpropyl)-2,6-dinitro-
TL;DR: Benzenamine, N-(1-methylpropyl)-2,6-dinitro- (CAS 55702-49-3) 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-2,6-dinitroaniline
Also Known As: n-2,6-dinitrobenzenamine, N- -2,6-dinitrobenzenamine, N-butan-2-yl-2,6-dinitroaniline, N-(Sec-butyl)-2,6-dinitroaniline, N-(butan-2-yl)-2,6-dinitroaniline
| Molecular Formula | C10H13N3O4 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0906 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 55702-49-3 |
|---|---|
| SMILES | CCC(C)NC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MDXPRXYGYOMMKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, N-(1-methylpropyl)-2,6-dinitro- (CAS 55702-49-3), with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol. IUPAC: N-butan-2-yl-2,6-dinitroaniline.
Chemical Property Profile of Benzenamine, N-(1-methylpropyl)-2,6-dinitro-
Property Insights of Benzenamine, N-(1-methylpropyl)-2,6-dinitro-
The XLogP value of 3.4 indicates that Benzenamine, N-(1-methylpropyl)-2,6-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, N-(1-methylpropyl)-2,6-dinitro-. Following Lipinski's Rule of Five, Benzenamine, N-(1-methylpropyl)-2,6-dinitro- 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 Benzenamine, N-(1-methylpropyl)-2,6-dinitro-?
The CAS number of Benzenamine, N-(1-methylpropyl)-2,6-dinitro- is 55702-49-3.
What is the molecular formula of Benzenamine, N-(1-methylpropyl)-2,6-dinitro-?
The molecular formula of Benzenamine, N-(1-methylpropyl)-2,6-dinitro- is C10H13N3O4.
What is the molecular weight of Benzenamine, N-(1-methylpropyl)-2,6-dinitro-?
The molecular weight of Benzenamine, N-(1-methylpropyl)-2,6-dinitro- is 239.09 g/mol.
Where can I buy Benzenamine, N-(1-methylpropyl)-2,6-dinitro-?
You can request a quote for Benzenamine, N-(1-methylpropyl)-2,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-(1-methylpropyl)-2,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-(1-methylpropyl)-2,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.