3-Nitrophenyltrimethylammonium iodide
TL;DR: 3-Nitrophenyltrimethylammonium iodide (CAS 27389-55-5) is a chemical compound with molecular formula C9H13IN2O2 and molecular weight 308.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-(3-nitrophenyl)azanium iodide
Also Known As: m-Nitrotrimethylanilinium iodide, NIOSH/BR9199900, 3-Nitrophenyltrimethylammonium iodide, (m-Nitrophenyl)trimethylammonium iodide, Trimethyl(3-nitrophenyl)ammonium iodide
| Molecular Formula | C9H13IN2O2 |
|---|---|
| Molecular Weight | 308.00 g/mol |
| LogP | -1.2045 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.00217 |
| Heavy Atoms | 14 |
| Complexity | 333.82898 |
Chemical Identifiers
| CAS Number | 27389-55-5 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC(=C1)[N+](=O)[O-].[I-] |
Product Overview
3-Nitrophenyltrimethylammonium iodide (CAS 27389-55-5), with molecular formula C9H13IN2O2 and molecular weight 308.00 g/mol. IUPAC: trimethyl-(3-nitrophenyl)azanium iodide.
Chemical Property Profile of 3-Nitrophenyltrimethylammonium iodide
Property Insights of 3-Nitrophenyltrimethylammonium iodide
The XLogP value of -1.2045 indicates that 3-Nitrophenyltrimethylammonium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.14 Ų, 3-Nitrophenyltrimethylammonium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitrophenyltrimethylammonium iodide 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 3-Nitrophenyltrimethylammonium iodide?
The CAS number of 3-Nitrophenyltrimethylammonium iodide is 27389-55-5.
What is the molecular formula of 3-Nitrophenyltrimethylammonium iodide?
The molecular formula of 3-Nitrophenyltrimethylammonium iodide is C9H13IN2O2.
What is the molecular weight of 3-Nitrophenyltrimethylammonium iodide?
The molecular weight of 3-Nitrophenyltrimethylammonium iodide is 308.00 g/mol.
Where can I buy 3-Nitrophenyltrimethylammonium iodide?
You can request a quote for 3-Nitrophenyltrimethylammonium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenyltrimethylammonium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyltrimethylammonium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.