Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride
TL;DR: Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride (CAS 77234-69-6) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone;methane;chloride
Also Known As: N-(4-Aminophenacyl)imidazole hydrochloride, N-((4-Aminobenzoyl)methyl)imidazole hydrochloride, ACETOPHENONE, 4'-AMINO-2-(1-IMIDAZOLYL)-, HYDROCHLORIDE, ACETOPHENONE,4'-AMINO-2-(1-IMIDAZOLYL)- HCL, 1-(4-aminophenyl)-2-imidazol-1-ium-1-ylethanone; methane; chloride
| Molecular Formula | C12H16ClN3O |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | -2.51 |
| Topological Polar Surface Area | 59.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.09819 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 77234-69-6 |
|---|---|
| SMILES | C.C1=CC(=CC=C1C(=O)C[NH+]2C=CN=C2)N.[Cl-] |
| InChIKey | IVPFOZRRUAAUAU-UHFFFAOYSA-N |
Product Overview
Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride (CAS 77234-69-6), with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol. IUPAC: 1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone;methane;chloride.
Chemical Property Profile of Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride
Property Insights of Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride
The XLogP value of -2.51 indicates that Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.9 Ų, Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride has 2 hydrogen bond donor(s) and 4 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 Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride?
The CAS number of Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride is 77234-69-6.
What is the molecular formula of Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride?
The molecular formula of Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride is C12H16ClN3O.
What is the molecular weight of Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride?
The molecular weight of Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride is 253.10 g/mol.
Where can I buy Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride?
You can request a quote for Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.