9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-
TL;DR: 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- (CAS 871-37-4) is a chemical compound with molecular formula C22H43NO2 and molecular weight 353.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dimethyl(octadec-9-enyl)azaniumyl]acetate
Also Known As: Oleyl betaine, 2-[Dimethyl(octadec-9-enyl)azaniumyl]acetate, 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-, RefChem:108063
| Molecular Formula | C22H43NO2 |
|---|---|
| Molecular Weight | 353.33 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 353.32938 |
| Heavy Atoms | 25 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 871-37-4 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC(=O)[O-] |
| InChIKey | AMRBZKOCOOPYNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- (CAS 871-37-4), with molecular formula C22H43NO2 and molecular weight 353.33 g/mol. IUPAC: 2-[dimethyl(octadec-9-enyl)azaniumyl]acetate.
Chemical Property Profile of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-
Property Insights of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-
The XLogP value of 8.4 indicates that 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-?
The CAS number of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- is 871-37-4.
What is the molecular formula of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-?
The molecular formula of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- is C22H43NO2.
What is the molecular weight of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-?
The molecular weight of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- is 353.33 g/mol.
Where can I buy 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-?
You can request a quote for 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-?
Yes, KEHONG BIO provides custom synthesis services for 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.