3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide
TL;DR: 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide (CAS 95899-39-1) is a chemical compound with molecular formula C10H21IN2O and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide
Also Known As: 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide
| Molecular Formula | C10H21IN2O |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | -1.8371 |
| Topological Polar Surface Area | 15.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.06985 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 95899-39-1 |
|---|---|
| SMILES | CCCOC(=CN(C)C)C=[N+](C)C.[I-] |
| InChIKey | OGYWYALDKOHKMN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide (CAS 95899-39-1), with molecular formula C10H21IN2O and molecular weight 312.07 g/mol. IUPAC: [3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide.
Chemical Property Profile of 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide
Property Insights of 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide
The XLogP value of -1.8371 indicates that 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 15.5 Ų, 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide 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 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide?
The CAS number of 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide is 95899-39-1.
What is the molecular formula of 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide?
The molecular formula of 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide is C10H21IN2O.
What is the molecular weight of 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide?
The molecular weight of 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide is 312.07 g/mol.
Where can I buy 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide?
You can request a quote for 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.