Choline, iodide, benzylcarbamate
TL;DR: Choline, iodide, benzylcarbamate (CAS 63939-02-6) is a chemical compound with molecular formula C13H21IN2O2 and molecular weight 364.0648 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylcarbamoyloxy)ethyl-trimethylazanium iodide
Also Known As: Choline, iodide, benzylcarbamate, CHOLINE IODIDE BENZYLCARBAMATE, N-Benzylurethane of trimethyl-2-hydroxyethylammonium iodide, Ammonium, (2-(N-benzylcarbamoyloxy)ethyl)trimethyl-, iodide, 2-(benzylcarbamoyloxy)ethyl-trimethylazanium iodide
Technical Specifications
| Molecular Formula | C13H21IN2O2 |
| Molecular Weight | 364.0648 g/mol |
| XLogP | -1.38 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0648 Da |
| Heavy Atoms | 18 |
| Complexity | 230.0 |
| SMILES | C[N+](C)(C)CCOC(=O)NCC1=CC=CC=C1.[I-] |
| InChIKey | CCXUXIWPHDLYBF-UHFFFAOYSA-N |
Chemical Property Profile of Choline, iodide, benzylcarbamate
Property Insights of Choline, iodide, benzylcarbamate
The XLogP value of -1.38 indicates that Choline, iodide, benzylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, Choline, iodide, benzylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, iodide, benzylcarbamate has 1 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 Choline, iodide, benzylcarbamate?
The CAS number of Choline, iodide, benzylcarbamate is 63939-02-6.
What is the molecular formula of Choline, iodide, benzylcarbamate?
The molecular formula of Choline, iodide, benzylcarbamate is C13H21IN2O2.
What is the molecular weight of Choline, iodide, benzylcarbamate?
The molecular weight of Choline, iodide, benzylcarbamate is 364.0648 g/mol.
Where can I buy Choline, iodide, benzylcarbamate?
You can request a quote for Choline, iodide, benzylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Choline, iodide, benzylcarbamate?
Yes, CoreyChem provides custom synthesis services for Choline, iodide, benzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.