N,N-diethyl-2-nitrobenzamide
TL;DR: N,N-diethyl-2-nitrobenzamide (CAS 10345-77-4) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-nitrobenzamide
Also Known As: N,N-diethyl-2-nitrobenzamide, 2-nitro-N,N-diethylbenzamide, 2-Nitrobenzoesaeure-diethylamid, N,N-diethyl-2-nitro-benzamide, Benzamide, N,N-diethyl-2-nitro-
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.0768 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 399.97107 |
Chemical Identifiers
| CAS Number | 10345-77-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
N,N-diethyl-2-nitrobenzamide (CAS 10345-77-4), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: N,N-diethyl-2-nitrobenzamide.
Chemical Property Profile of N,N-diethyl-2-nitrobenzamide
Property Insights of N,N-diethyl-2-nitrobenzamide
The XLogP value of 2.0768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-2-nitrobenzamide. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N,N-diethyl-2-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
Frequently Asked Questions
What is the CAS number of N,N-diethyl-2-nitrobenzamide?
The CAS number of N,N-diethyl-2-nitrobenzamide is 10345-77-4.
What is the molecular formula of N,N-diethyl-2-nitrobenzamide?
The molecular formula of N,N-diethyl-2-nitrobenzamide is C11H14N2O3.
What is the molecular weight of N,N-diethyl-2-nitrobenzamide?
The molecular weight of N,N-diethyl-2-nitrobenzamide is 222.10 g/mol.
Where can I buy N,N-diethyl-2-nitrobenzamide?
You can request a quote for N,N-diethyl-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.