Dinitramine
TL;DR: Dinitramine (CAS 29091-05-2) is a chemical compound with molecular formula C11H13F3N4O4 and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N,3-N-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine
Also Known As: DINITRAMINE, Cobex, Cobexo, Cobeko, Cobex (herbicide)
| Molecular Formula | C11H13F3N4O4 |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0889 |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
| Melting Point | 98.0-99.0 °C |
| Density | 1.5 g/cc at 25 °C |
| Solubility | In acetone 1040, chloroform 670, benzene 473, xylene 227, ethanol 107, hexane 14 (all in g/L at 20 °C). |
| Vapor Pressure | 0.0000036 [mmHg] |
Chemical Identifiers
| CAS Number | 29091-05-2 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | OFDYMSKSGFSLLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dinitramine (CAS 29091-05-2), with molecular formula C11H13F3N4O4 and molecular weight 322.09 g/mol. IUPAC: 3-N,3-N-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine.
Chemical Property Profile of Dinitramine
Property Insights of Dinitramine
The XLogP value of 3.2 indicates that Dinitramine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinitramine. Following Lipinski's Rule of Five, Dinitramine has 1 hydrogen bond donor(s) and 9 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 Dinitramine?
The CAS number of Dinitramine is 29091-05-2.
What is the molecular formula of Dinitramine?
The molecular formula of Dinitramine is C11H13F3N4O4.
What is the molecular weight of Dinitramine?
The molecular weight of Dinitramine is 322.09 g/mol.
Where can I buy Dinitramine?
You can request a quote for Dinitramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitramine?
Yes, KEHONG BIO provides custom synthesis services for Dinitramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.