o-Cresol, 4,6-dinitro-, methylamine (1:1)
TL;DR: o-Cresol, 4,6-dinitro-, methylamine (1:1) (CAS 63989-84-4) is a chemical compound with molecular formula C8H11N3O5 and molecular weight 229.06987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methylazanium;2-methyl-4,6-dinitrophenolate
Also Known As: 4,6-Dinitro-o-cresol methylamine (1:1), o-CRESOL, 4,6-DINITRO-, METHYLAMINE (1:1), Methanaminium 2-methyl-4,6-dinitrophenolate, methylazanium; 2-methyl-4,6-dinitrophenolate, Phenol, 2-methyl-4,6-dinitro-, compd. with methanamine (1:1)
Technical Specifications
| Molecular Formula | C8H11N3O5 |
| Molecular Weight | 229.06987 g/mol |
| XLogP | -0.26 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.06987 Da |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| SMILES | CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].C[NH3+] |
| InChIKey | TXDNNUKYTGLQBE-UHFFFAOYSA-N |
Chemical Property Profile of o-Cresol, 4,6-dinitro-, methylamine (1:1)
Property Insights of o-Cresol, 4,6-dinitro-, methylamine (1:1)
The XLogP value of -0.26 indicates that o-Cresol, 4,6-dinitro-, methylamine (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting o-Cresol, 4,6-dinitro-, methylamine (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, o-Cresol, 4,6-dinitro-, methylamine (1:1) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of o-Cresol, 4,6-dinitro-, methylamine (1:1)?
The CAS number of o-Cresol, 4,6-dinitro-, methylamine (1:1) is 63989-84-4.
What is the molecular formula of o-Cresol, 4,6-dinitro-, methylamine (1:1)?
The molecular formula of o-Cresol, 4,6-dinitro-, methylamine (1:1) is C8H11N3O5.
What is the molecular weight of o-Cresol, 4,6-dinitro-, methylamine (1:1)?
The molecular weight of o-Cresol, 4,6-dinitro-, methylamine (1:1) is 229.06987 g/mol.
Where can I buy o-Cresol, 4,6-dinitro-, methylamine (1:1)?
You can request a quote for o-Cresol, 4,6-dinitro-, methylamine (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Cresol, 4,6-dinitro-, methylamine (1:1)?
Yes, CoreyChem provides custom synthesis services for o-Cresol, 4,6-dinitro-, methylamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.