3-diethylaminophenyl-N-methylcarbamate methiodide
TL;DR: 3-diethylaminophenyl-N-methylcarbamate methiodide (CAS 60398-22-3) 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.
diethyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
Also Known As: deapmc, TL 1217, 3-Diethylaminophenyl-N-methylcarbamate methiodide, Ammonium, (3-(N-methylcarbamoyloxy)phenyl)diethylmethyl-, iodide, 1,2-Ethanediamine,N,N-diethyl-N'-methyl
Technical Specifications
| Molecular Formula | C13H21IN2O2 |
| Molecular Weight | 364.0648 g/mol |
| XLogP | -0.61 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0648 Da |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
| SMILES | CC[N+](C)(CC)C1=CC(=CC=C1)OC(=O)NC.[I-] |
| InChIKey | XYPQGNNSAIEXIS-UHFFFAOYSA-N |
Chemical Property Profile of 3-diethylaminophenyl-N-methylcarbamate methiodide
Property Insights of 3-diethylaminophenyl-N-methylcarbamate methiodide
The XLogP value of -0.61 indicates that 3-diethylaminophenyl-N-methylcarbamate methiodide 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, 3-diethylaminophenyl-N-methylcarbamate methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-diethylaminophenyl-N-methylcarbamate methiodide 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 3-diethylaminophenyl-N-methylcarbamate methiodide?
The CAS number of 3-diethylaminophenyl-N-methylcarbamate methiodide is 60398-22-3.
What is the molecular formula of 3-diethylaminophenyl-N-methylcarbamate methiodide?
The molecular formula of 3-diethylaminophenyl-N-methylcarbamate methiodide is C13H21IN2O2.
What is the molecular weight of 3-diethylaminophenyl-N-methylcarbamate methiodide?
The molecular weight of 3-diethylaminophenyl-N-methylcarbamate methiodide is 364.0648 g/mol.
Where can I buy 3-diethylaminophenyl-N-methylcarbamate methiodide?
You can request a quote for 3-diethylaminophenyl-N-methylcarbamate methiodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-diethylaminophenyl-N-methylcarbamate methiodide?
Yes, CoreyChem provides custom synthesis services for 3-diethylaminophenyl-N-methylcarbamate methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.