1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
TL;DR: 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) (CAS 879-72-1) is a chemical compound with molecular formula C11H16ClNO and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
Also Known As: 3-(Dimethylamino)propiophenone hydrochloride, 3-Dimethylaminopropiophenone hydrochloride, 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride, 1-Propanone, hydrochloride, Propiophenone, hydrochloride
| Molecular Formula | C11H16ClNO |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 2.24 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.09204 |
| Heavy Atoms | 14 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 879-72-1 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CC=CC=C1.Cl |
| InChIKey | DKNDBIIKSJWQFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) (CAS 879-72-1), with molecular formula C11H16ClNO and molecular weight 213.09 g/mol. IUPAC: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride.
Chemical Property Profile of 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
Property Insights of 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
The XLogP value of 2.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 20.3 Ų, 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) has 1 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 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)?
The CAS number of 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) is 879-72-1.
What is the molecular formula of 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)?
The molecular formula of 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) is C11H16ClNO.
What is the molecular weight of 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)?
The molecular weight of 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) is 213.09 g/mol.
Where can I buy 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)?
You can request a quote for 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.