RefChem:77056
TL;DR: RefChem:77056 (CAS 13052-13-6) is a chemical compound with molecular formula C9H18ClNO3 and molecular weight 223.09752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hydroxy-3-prop-2-enoyloxypropyl)-trimethylazanium chloride
Also Known As: [2-hydroxy-3-[(1-oxoallyl)oxy]propyl]trimethylammonium chloride|1-Propananinium, 2-hydroxy-N,N,N-trimethyl-3-((1-oxo-2-propenyl)oxy)-, chloride|(2-hydroxy-3-prop-2-enoyloxypropyl)-trimethylazanium;chloride|2-Hydroxy-N,N,N-trimethyl-3-((1-oxo-2-propenyl)oxy)-1-propanaminium chloride|1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-((1-oxo-2-propen-1-yl)oxy)-, chloride (1:1)|1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-((1-oxo-2-propenyl)oxy)-, chloride|3-(acryloyloxy)-2-hydroxy-n,n,n-trimethylpropan-1-aminium chloride|(2-hydroxy-3-prop-2-enoyloxypropyl)-trimethylazanium chloride|(2-Hydroxy-3-((1-oxoallyl)oxy)propyl)trimethylammonium chloride|1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)|1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(1-oxo-2-propenyl)oxy]-, chloride|2-Hydroxy-N,N,N-trimethyl-3-[(prop-2-enoyl)oxy]propan-1-aminium chloride|2-Hydroxy-N,N,N-trimethyl-3-((1-oxo-2-propenyl)oxy)-1-propanaminiumchloride|EINECS 235-937-6|NIBPGNKODUOZIW-UHFFFAOYSA-M|NS00052297
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18ClNO3 |
| Molecular Weight | 223.09752 g/mol |
| XLogP | -3.21 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.09752 Da |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
| SMILES | C[N+](C)(C)CC(COC(=O)C=C)O.[Cl-] |
| InChIKey | NIBPGNKODUOZIW-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:77056
Property Insights of RefChem:77056
The XLogP value of -3.21 indicates that RefChem:77056 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:77056 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77056 has 1 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 RefChem:77056?
The CAS number of RefChem:77056 is 13052-13-6.
What is the molecular formula of RefChem:77056?
The molecular formula of RefChem:77056 is C9H18ClNO3.
What is the molecular weight of RefChem:77056?
The molecular weight of RefChem:77056 is 223.09752 g/mol.
Where can I buy RefChem:77056?
You can request a quote for RefChem:77056 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:77056?
Yes, CoreyChem provides custom synthesis services for RefChem:77056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.