2-Butanol, 2-methyl-,2-nitrate
TL;DR: 2-Butanol, 2-methyl-,2-nitrate (CAS 21823-36-9) is a chemical compound with molecular formula C5H11NO3 and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutan-2-yl nitrate
Also Known As: 2-methyl-2-butyl nitrate, 2-methylbutan-2-yl Nitrate, 1,1-Dimethylpropyl nitrate, 2-methyl-2-butanol nitrate, tert-Pentyl alcohol, nitrate
| Molecular Formula | C5H11NO3 |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.0739 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 21823-36-9 |
|---|---|
| SMILES | CCC(C)(C)O[N+](=O)[O-] |
| InChIKey | UENFRVTUGZKXNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanol, 2-methyl-,2-nitrate (CAS 21823-36-9), with molecular formula C5H11NO3 and molecular weight 133.07 g/mol. IUPAC: 2-methylbutan-2-yl nitrate.
Chemical Property Profile of 2-Butanol, 2-methyl-,2-nitrate
Property Insights of 2-Butanol, 2-methyl-,2-nitrate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanol, 2-methyl-,2-nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Butanol, 2-methyl-,2-nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanol, 2-methyl-,2-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
Frequently Asked Questions
What is the CAS number of 2-Butanol, 2-methyl-,2-nitrate?
The CAS number of 2-Butanol, 2-methyl-,2-nitrate is 21823-36-9.
What is the molecular formula of 2-Butanol, 2-methyl-,2-nitrate?
The molecular formula of 2-Butanol, 2-methyl-,2-nitrate is C5H11NO3.
What is the molecular weight of 2-Butanol, 2-methyl-,2-nitrate?
The molecular weight of 2-Butanol, 2-methyl-,2-nitrate is 133.07 g/mol.
Where can I buy 2-Butanol, 2-methyl-,2-nitrate?
You can request a quote for 2-Butanol, 2-methyl-,2-nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanol, 2-methyl-,2-nitrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanol, 2-methyl-,2-nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.