(2,4,5-三甲基苯基)铵氯化物
TL;DR: (2,4,5-三甲基苯基)铵氯化物 (CAS 21436-97-5) is a chemical compound with molecular formula C9H14ClN and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-三甲基苯基)铵氯化物
(2,4,5-trimethylphenyl)azanium chloride
Also Known As: psi-Cumidine hydrochloride, Pseudocumidine hydrochloride, 2,4,5-Trimethylaniline.HCl, 2,4,5-Trimethylaniline hydrochloride, (2,4,5-trimethylphenyl)azanium chloride
| Molecular Formula | C9H14ClN |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | -1.51 |
| Topological Polar Surface Area | 27.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.08148 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 21436-97-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)[NH3+])C.[Cl-] |
| InChIKey | HPSNPQBFMPYUOD-UHFFFAOYSA-N |
Product Overview
(2,4,5-三甲基苯基)铵氯化物 (CAS 21436-97-5), with molecular formula C9H14ClN and molecular weight 171.08 g/mol. IUPAC: (2,4,5-trimethylphenyl)azanium chloride.
Chemical Property Profile of (2,4,5-三甲基苯基)铵氯化物
Property Insights of (2,4,5-三甲基苯基)铵氯化物
The XLogP value of -1.51 indicates that (2,4,5-三甲基苯基)铵氯化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.6 Ų, (2,4,5-三甲基苯基)铵氯化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,5-三甲基苯基)铵氯化物 has 1 hydrogen bond donor(s) and 1 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 (2,4,5-三甲基苯基)铵氯化物?
The CAS number of (2,4,5-三甲基苯基)铵氯化物 is 21436-97-5.
What is the molecular formula of (2,4,5-三甲基苯基)铵氯化物?
The molecular formula of (2,4,5-三甲基苯基)铵氯化物 is C9H14ClN.
What is the molecular weight of (2,4,5-三甲基苯基)铵氯化物?
The molecular weight of (2,4,5-三甲基苯基)铵氯化物 is 171.08 g/mol.
Where can I buy (2,4,5-三甲基苯基)铵氯化物?
You can request a quote for (2,4,5-三甲基苯基)铵氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4,5-三甲基苯基)铵氯化物?
Yes, KEHONG BIO provides custom synthesis services for (2,4,5-三甲基苯基)铵氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.