2-(丁基硝氨基)乙基硝酸酯
TL;DR: 2-(丁基硝氨基)乙基硝酸酯 (CAS 82486-82-6) is a chemical compound with molecular formula C6H13N3O5 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(丁基硝氨基)乙基硝酸酯
2-[butyl(nitro)amino]ethyl nitrate
Also Known As: 2-(Butylnitroamino)ethyl nitrate, Bu-NENA, 2-[butyl(nitro)amino]ethyl nitrate, N-Butyl-2-nitratoethylnitramine, N-Butyl-2-nitratoethyl nitramine
| Molecular Formula | C6H13N3O5 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.08553 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 82486-82-6 |
|---|---|
| SMILES | CCCCN(CCO[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | TUIUTESNLKHOHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(丁基硝氨基)乙基硝酸酯 (CAS 82486-82-6), with molecular formula C6H13N3O5 and molecular weight 207.09 g/mol. IUPAC: 2-[butyl(nitro)amino]ethyl nitrate.
Chemical Property Profile of 2-(丁基硝氨基)乙基硝酸酯
Property Insights of 2-(丁基硝氨基)乙基硝酸酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(丁基硝氨基)乙基硝酸酯. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(丁基硝氨基)乙基硝酸酯. Following Lipinski's Rule of Five, 2-(丁基硝氨基)乙基硝酸酯 has 0 hydrogen bond donor(s) and 6 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-(丁基硝氨基)乙基硝酸酯?
The CAS number of 2-(丁基硝氨基)乙基硝酸酯 is 82486-82-6.
What is the molecular formula of 2-(丁基硝氨基)乙基硝酸酯?
The molecular formula of 2-(丁基硝氨基)乙基硝酸酯 is C6H13N3O5.
What is the molecular weight of 2-(丁基硝氨基)乙基硝酸酯?
The molecular weight of 2-(丁基硝氨基)乙基硝酸酯 is 207.09 g/mol.
Where can I buy 2-(丁基硝氨基)乙基硝酸酯?
You can request a quote for 2-(丁基硝氨基)乙基硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(丁基硝氨基)乙基硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(丁基硝氨基)乙基硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.