2-methylpentyl Nitrate
TL;DR: 2-methylpentyl Nitrate (CAS 133764-32-6) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpentyl nitrate
Also Known As: 2-methylpentyl Nitrate, 2-Methyl-1-pentyl nitrate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H13NO3 |
| Molecular Weight | 147.08954 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.08954 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| SMILES | CCCC(C)CO[N+](=O)[O-] |
| InChIKey | CETUNBADQVCCRS-UHFFFAOYSA-N |
Chemical Property Profile of 2-methylpentyl Nitrate
Property Insights of 2-methylpentyl Nitrate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylpentyl Nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, 2-methylpentyl Nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylpentyl Nitrate has 0 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 2-methylpentyl Nitrate?
The CAS number of 2-methylpentyl Nitrate is 133764-32-6.
What is the molecular formula of 2-methylpentyl Nitrate?
The molecular formula of 2-methylpentyl Nitrate is C6H13NO3.
What is the molecular weight of 2-methylpentyl Nitrate?
The molecular weight of 2-methylpentyl Nitrate is 147.08954 g/mol.
Where can I buy 2-methylpentyl Nitrate?
You can request a quote for 2-methylpentyl Nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methylpentyl Nitrate?
Yes, CoreyChem provides custom synthesis services for 2-methylpentyl Nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.