2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide
TL;DR: 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide (CAS 32188-23-1) is a chemical compound with molecular formula C13H20BrNO2 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxyethyl-benzyl-dimethylazanium bromide
Also Known As: Acetylcholin-benzylbromid, Acetoxyethyl-dimethylbenzylammonium bromide, Benzyldimethyl(2-hydroxyethyl)ammonium bromide acetate, A-Acetoxyethyl)-benzyldimethylammonium-bromid, 2-acetyloxyethyl-benzyl-dimethylazanium bromide
| Molecular Formula | C13H20BrNO2 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | -1.17 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.06775 |
| Heavy Atoms | 17 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 32188-23-1 |
|---|---|
| SMILES | CC(=O)OCC[N+](C)(C)CC1=CC=CC=C1.[Br-] |
| InChIKey | OXWOEKLWKJQYPQ-UHFFFAOYSA-M |
Product Overview
2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide (CAS 32188-23-1), with molecular formula C13H20BrNO2 and molecular weight 301.07 g/mol. IUPAC: 2-acetyloxyethyl-benzyl-dimethylazanium bromide.
Chemical Property Profile of 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide
Property Insights of 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide
The XLogP value of -1.17 indicates that 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide 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-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide?
The CAS number of 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide is 32188-23-1.
What is the molecular formula of 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide?
The molecular formula of 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide is C13H20BrNO2.
What is the molecular weight of 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide?
The molecular weight of 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide is 301.07 g/mol.
Where can I buy 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide?
You can request a quote for 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.