2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride
TL;DR: 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride (CAS 4749-61-5) is a chemical compound with molecular formula C13H20ClN3 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
Also Known As: ST 91, St 91-Cl, 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride, 2-IMIDAZOLINE, 2-(2,6-DIETHYLANILINO)-, HYDROCHLORIDE, N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine;chloride
| Molecular Formula | C13H20ClN3 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | -2.73 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.13458 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 4749-61-5 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC2=[NH+]CCN2.[Cl-] |
| InChIKey | ZLRWFGBEDNTMEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride (CAS 4749-61-5), with molecular formula C13H20ClN3 and molecular weight 253.13 g/mol. IUPAC: N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride.
Chemical Property Profile of 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride
Property Insights of 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride
The XLogP value of -2.73 indicates that 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.0 Ų, 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride has 3 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-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride?
The CAS number of 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride is 4749-61-5.
What is the molecular formula of 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride?
The molecular formula of 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride is C13H20ClN3.
What is the molecular weight of 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride?
The molecular weight of 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride is 253.13 g/mol.
Where can I buy 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride?
You can request a quote for 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.