Nitrobenzylamidin
TL;DR: Nitrobenzylamidin (CAS 790598-21-9) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-nitrophenyl)ethanimidamide
Also Known As: Nitrobenzylamidin, 2-(4-nitrophenyl)ethanimidamide, Benzeneethanimidamide, 4-nitro-, 2-(4-nitrophenyl)acetamidine, 2-(4-Nitrophenyl)acetimidamide
Technical Specifications
| Molecular Formula | C8H9N3O2 |
| Molecular Weight | 179.06947 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.06947 Da |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
| SMILES | C1=CC(=CC=C1CC(=N)N)[N+](=O)[O-] |
| InChIKey | GQBBCZNEDGPMCS-UHFFFAOYSA-N |
Chemical Property Profile of Nitrobenzylamidin
Property Insights of Nitrobenzylamidin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrobenzylamidin. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrobenzylamidin. Following Lipinski's Rule of Five, Nitrobenzylamidin has 2 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 Nitrobenzylamidin?
The CAS number of Nitrobenzylamidin is 790598-21-9.
What is the molecular formula of Nitrobenzylamidin?
The molecular formula of Nitrobenzylamidin is C8H9N3O2.
What is the molecular weight of Nitrobenzylamidin?
The molecular weight of Nitrobenzylamidin is 179.06947 g/mol.
Where can I buy Nitrobenzylamidin?
You can request a quote for Nitrobenzylamidin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitrobenzylamidin?
Yes, CoreyChem provides custom synthesis services for Nitrobenzylamidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.