胆碱硝酸酯氢氧化物
TL;DR: 胆碱硝酸酯氢氧化物 (CAS 543-17-9) is a chemical compound with molecular formula C5H14N2O4 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆碱硝酸酯氢氧化物
trimethyl(2-nitrooxyethyl)azanium hydroxide
Also Known As: Nitrocholine, Choline, hydroxide, nitrate, Nitricholine hydroxide, Choline, nitrate (ester), hydroxide, n,n,n-trimethyl-2-(nitrooxy)ethanaminium hydroxide
| Molecular Formula | C5H14N2O4 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | -0.28 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.09535 |
| Heavy Atoms | 11 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 543-17-9 |
|---|---|
| SMILES | C[N+](C)(C)CCO[N+](=O)[O-].[OH-] |
| InChIKey | ZQCMIIFDTOZOCG-UHFFFAOYSA-M |
Product Overview
胆碱硝酸酯氢氧化物 (CAS 543-17-9), with molecular formula C5H14N2O4 and molecular weight 166.10 g/mol. IUPAC: trimethyl(2-nitrooxyethyl)azanium hydroxide.
Chemical Property Profile of 胆碱硝酸酯氢氧化物
Property Insights of 胆碱硝酸酯氢氧化物
The XLogP value of -0.28 indicates that 胆碱硝酸酯氢氧化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.1 Ų, 胆碱硝酸酯氢氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆碱硝酸酯氢氧化物 has 1 hydrogen bond donor(s) and 4 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 胆碱硝酸酯氢氧化物?
The CAS number of 胆碱硝酸酯氢氧化物 is 543-17-9.
What is the molecular formula of 胆碱硝酸酯氢氧化物?
The molecular formula of 胆碱硝酸酯氢氧化物 is C5H14N2O4.
What is the molecular weight of 胆碱硝酸酯氢氧化物?
The molecular weight of 胆碱硝酸酯氢氧化物 is 166.10 g/mol.
Where can I buy 胆碱硝酸酯氢氧化物?
You can request a quote for 胆碱硝酸酯氢氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆碱硝酸酯氢氧化物?
Yes, KEHONG BIO provides custom synthesis services for 胆碱硝酸酯氢氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.