Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)
TL;DR: Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) (CAS 27946-71-0) is a chemical compound with molecular formula C13H22INO and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)propyl-trimethylazanium iodide
Also Known As: (3-(o-Methoxyphenyl)propyl)trimethylammonium iodide, 3-(2-methoxyphenyl)propyl-trimethylazanium iodide, AMMONIUM, (3-(o-METHOXYPHENYL)PROPYL)TRIMETHYL-, IODIDE, 3-(2-methoxyphenyl)-N,N,N-trimethylpropan-1-aminium iodide, Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)
| Molecular Formula | C13H22INO |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | -0.66 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.07462 |
| Heavy Atoms | 16 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 27946-71-0 |
|---|---|
| SMILES | C[N+](C)(C)CCCC1=CC=CC=C1OC.[I-] |
| InChIKey | ACMUWHPYKNOYII-UHFFFAOYSA-M |
Product Overview
Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) (CAS 27946-71-0), with molecular formula C13H22INO and molecular weight 335.07 g/mol. IUPAC: 3-(2-methoxyphenyl)propyl-trimethylazanium iodide.
Chemical Property Profile of Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)
Property Insights of Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)
The XLogP value of -0.66 indicates that Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.2 Ų, Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) has 0 hydrogen bond donor(s) and 2 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 Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)?
The CAS number of Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) is 27946-71-0.
What is the molecular formula of Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)?
The molecular formula of Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) is C13H22INO.
What is the molecular weight of Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)?
The molecular weight of Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) is 335.07 g/mol.
Where can I buy Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)?
You can request a quote for Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.