N,N,4-trimethyl-3-nitrobenzamide
TL;DR: N,N,4-trimethyl-3-nitrobenzamide (CAS 1381928-03-5) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,4-trimethyl-3-nitrobenzamide
Also Known As: N,N,4-trimethyl-3-nitrobenzamide, N,N,4-trimethyl-3-nitro-benzamide, (2S)-2-(3-Methylphenyl)pyrrolidine hydrochloride, H74442
Technical Specifications
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.0848 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.0848 Da |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)N(C)C)[N+](=O)[O-] |
| InChIKey | HIWIUNGMXSNCHC-UHFFFAOYSA-N |
Chemical Property Profile of N,N,4-trimethyl-3-nitrobenzamide
Property Insights of N,N,4-trimethyl-3-nitrobenzamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,4-trimethyl-3-nitrobenzamide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N,4-trimethyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N,N,4-trimethyl-3-nitrobenzamide has 0 hydrogen bond donor(s) and 3 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,N,4-trimethyl-3-nitrobenzamide?
The CAS number of N,N,4-trimethyl-3-nitrobenzamide is 1381928-03-5.
What is the molecular formula of N,N,4-trimethyl-3-nitrobenzamide?
The molecular formula of N,N,4-trimethyl-3-nitrobenzamide is C10H12N2O3.
What is the molecular weight of N,N,4-trimethyl-3-nitrobenzamide?
The molecular weight of N,N,4-trimethyl-3-nitrobenzamide is 208.0848 g/mol.
Where can I buy N,N,4-trimethyl-3-nitrobenzamide?
You can request a quote for N,N,4-trimethyl-3-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N,4-trimethyl-3-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N,N,4-trimethyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.