4-Acetamido-2-amino-6-nitrotoluene
TL;DR: 4-Acetamido-2-amino-6-nitrotoluene (CAS 112842-34-9) is a chemical compound with molecular formula C9H11N3O3 and molecular weight 209.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-amino-4-methyl-5-nitrophenyl)acetamide
Also Known As: 4-Acetamido-2-amino-6-nitrotoluene, N-(3-amino-4-methyl-5-nitrophenyl)acetamide, c0457, 4-acetylamino-2-amino-6-nitrotoluene, 4-N-acetylamino-2-amino-6-nitrotoluene
Technical Specifications
| Molecular Formula | C9H11N3O3 |
| Molecular Weight | 209.08005 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.08005 Da |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C)N |
| InChIKey | VVBFFAYCAFLAAG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Acetamido-2-amino-6-nitrotoluene
Property Insights of 4-Acetamido-2-amino-6-nitrotoluene
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-2-amino-6-nitrotoluene. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-2-amino-6-nitrotoluene. Following Lipinski's Rule of Five, 4-Acetamido-2-amino-6-nitrotoluene 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 4-Acetamido-2-amino-6-nitrotoluene?
The CAS number of 4-Acetamido-2-amino-6-nitrotoluene is 112842-34-9.
What is the molecular formula of 4-Acetamido-2-amino-6-nitrotoluene?
The molecular formula of 4-Acetamido-2-amino-6-nitrotoluene is C9H11N3O3.
What is the molecular weight of 4-Acetamido-2-amino-6-nitrotoluene?
The molecular weight of 4-Acetamido-2-amino-6-nitrotoluene is 209.08005 g/mol.
Where can I buy 4-Acetamido-2-amino-6-nitrotoluene?
You can request a quote for 4-Acetamido-2-amino-6-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Acetamido-2-amino-6-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for 4-Acetamido-2-amino-6-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.