1-Methyl-3-nitronaphthalene
TL;DR: 1-Methyl-3-nitronaphthalene (CAS 41037-13-2) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-nitronaphthalene
Also Known As: 1-Methyl-3-nitronaphthalene, Naphthalene, 1-methyl-3-nitro-, 3-nitro-1-methylnaphthalene, 1-methyl-3-nitro-naphthalene, 4-METHYL-2-NITRONAPHTHALENE
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.06332 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.06332 Da |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
| SMILES | CC1=CC(=CC2=CC=CC=C12)[N+](=O)[O-] |
| InChIKey | ZHWLZNWJMCOUIZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-3-nitronaphthalene
Property Insights of 1-Methyl-3-nitronaphthalene
The XLogP value of 3.4 indicates that 1-Methyl-3-nitronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Methyl-3-nitronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-nitronaphthalene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-3-nitronaphthalene?
The CAS number of 1-Methyl-3-nitronaphthalene is 41037-13-2.
What is the molecular formula of 1-Methyl-3-nitronaphthalene?
The molecular formula of 1-Methyl-3-nitronaphthalene is C11H9NO2.
What is the molecular weight of 1-Methyl-3-nitronaphthalene?
The molecular weight of 1-Methyl-3-nitronaphthalene is 187.06332 g/mol.
Where can I buy 1-Methyl-3-nitronaphthalene?
You can request a quote for 1-Methyl-3-nitronaphthalene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-3-nitronaphthalene?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-3-nitronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.