Choline nitrate (ester), bromide
TL;DR: Choline nitrate (ester), bromide (CAS 63938-97-6) is a chemical compound with molecular formula C5H13BrN2O3 and molecular weight 228.01096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl(2-nitrooxyethyl)azanium bromide
Also Known As: Nitricholine bromide, Nitric ester of choline bromide, Choline nitrate (ester), bromide, Ethanaminium, N,N,N-trimethyl-2-(nitrooxy)-, bromide, trimethyl(2-nitrooxyethyl)azanium bromide
Technical Specifications
| Molecular Formula | C5H13BrN2O3 |
| Molecular Weight | 228.01096 g/mol |
| XLogP | -3.1 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.01096 Da |
| Heavy Atoms | 11 |
| Complexity | 113.0 |
| SMILES | C[N+](C)(C)CCO[N+](=O)[O-].[Br-] |
| InChIKey | SKJKEXGRMMULNJ-UHFFFAOYSA-M |
Chemical Property Profile of Choline nitrate (ester), bromide
Property Insights of Choline nitrate (ester), bromide
The XLogP value of -3.1 indicates that Choline nitrate (ester), bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.1 Ų, Choline nitrate (ester), bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline nitrate (ester), bromide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Choline nitrate (ester), bromide?
The CAS number of Choline nitrate (ester), bromide is 63938-97-6.
What is the molecular formula of Choline nitrate (ester), bromide?
The molecular formula of Choline nitrate (ester), bromide is C5H13BrN2O3.
What is the molecular weight of Choline nitrate (ester), bromide?
The molecular weight of Choline nitrate (ester), bromide is 228.01096 g/mol.
Where can I buy Choline nitrate (ester), bromide?
You can request a quote for Choline nitrate (ester), bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Choline nitrate (ester), bromide?
Yes, CoreyChem provides custom synthesis services for Choline nitrate (ester), bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.