N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide
TL;DR: N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide (CAS 1110671-39-0) is a chemical compound with molecular formula C12H17N5O2 and molecular weight 263.1382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N',3-N'-diethyl-5-nitrobenzene-1,3-dicarboximidamide
Also Known As: N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide, N1,N3-diethyl-5-nitrobenzene-1,3-dicarboximidamide, 1-N',3-N'-diethyl-5-nitrobenzene-1,3-dicarboximidamide, N1',N3'-diethyl-5-nitro-benzene-1,3-dicarboximidamide
Technical Specifications
| Molecular Formula | C12H17N5O2 |
| Molecular Weight | 263.1382 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.1382 Da |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
| SMILES | CCN=C(C1=CC(=CC(=C1)[N+](=O)[O-])C(=NCC)N)N |
| InChIKey | BLATZYCPSJELCY-UHFFFAOYSA-N |
Chemical Property Profile of N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide
Property Insights of N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide. Following Lipinski's Rule of Five, N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide has 2 hydrogen bond donor(s) and 4 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~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide?
The CAS number of N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide is 1110671-39-0.
What is the molecular formula of N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide?
The molecular formula of N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide is C12H17N5O2.
What is the molecular weight of N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide?
The molecular weight of N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide is 263.1382 g/mol.
Where can I buy N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide?
You can request a quote for N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide?
Yes, CoreyChem provides custom synthesis services for N~1~,N~3~-diethyl-5-nitrobenzene-1,3-dicarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.