N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide
TL;DR: N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide (CAS 73215-09-5) is a chemical compound with molecular formula C13H18N4O6 and molecular weight 326.12262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide
Also Known As: N-NITROPENDIMETHALIN, J1.590.354F, N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide, 3,4-dimethyl-N,2,6-trinitro-N-(pentan-3-yl)aniline, N-(1-Ethylpropyl)-3,4-dimethyl-N,2,6-trinitroaniline
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18N4O6 |
| Molecular Weight | 326.12262 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.12262 Da |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
| SMILES | CCC(CC)N(C1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RCNILBAHFOUGPC-UHFFFAOYSA-N |
Chemical Property Profile of N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide
Property Insights of N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide
The XLogP value of 4.4 indicates that N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide?
The CAS number of N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide is 73215-09-5.
What is the molecular formula of N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide?
The molecular formula of N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide is C13H18N4O6.
What is the molecular weight of N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide?
The molecular weight of N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide is 326.12262 g/mol.
Where can I buy N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide?
You can request a quote for N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide?
Yes, CoreyChem provides custom synthesis services for N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.