2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride
TL;DR: 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride (CAS 100596-01-8) is a chemical compound with molecular formula C12H16ClNO and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one;hydrochloride
Also Known As: 2-Propen-1-one, hydrochloride, 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride, 1-Phenyl-2-dimethylaminomethyl-2-propen-1-one hydrochloride, 2-((Dimethylamino)methyl)-1-phenyl-2-propen-1-one hydrochloride, 2-(dimethylaminomethyl)-1-phenylprop-2-en-1-one hydrochloride
| Molecular Formula | C12H16ClNO |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 2.4089 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.09204 |
| Heavy Atoms | 15 |
| Complexity | 332.73517 |
Chemical Identifiers
| CAS Number | 100596-01-8 |
|---|---|
| SMILES | CN(C)CC(=C)C(=O)C1=CC=CC=C1.Cl |
Product Overview
2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride (CAS 100596-01-8), with molecular formula C12H16ClNO and molecular weight 225.09 g/mol. IUPAC: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one;hydrochloride.
Chemical Property Profile of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride
Property Insights of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride
The XLogP value of 2.4089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride. With a topological polar surface area (TPSA) of 20.31 Ų, 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride 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 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride?
The CAS number of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride is 100596-01-8.
What is the molecular formula of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride?
The molecular formula of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride is C12H16ClNO.
What is the molecular weight of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride?
The molecular weight of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride is 225.09 g/mol.
Where can I buy 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride?
You can request a quote for 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.