1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride
TL;DR: 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride (CAS 132412-84-1) is a chemical compound with molecular formula C11H14ClNO3 and molecular weight 243.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-3-(methylamino)propan-1-one;hydrochloride
Also Known As: 5-(3-Methylaminopropionyl)-1,3-benzodioxolane hydrochloride, 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)propan-1-one hydrochloride, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)propan-1-one,hydrochloride, 1-(2H-1,3-Benzodioxol-5-yl)-3-(methylamino)propan-1-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C11H14ClNO3 |
| Molecular Weight | 243.06622 g/mol |
| XLogP | 1.6293 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.06622 Da |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
| SMILES | CNCCC(=O)C1=CC2=C(C=C1)OCO2.Cl |
| InChIKey | SCOKPHZTVDZOJB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride
Property Insights of 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride
The XLogP value of 1.6293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride. With a topological polar surface area (TPSA) of 47.6 Ų, 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, 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
What is the CAS number of 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride?
The CAS number of 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride is 132412-84-1.
What is the molecular formula of 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride?
The molecular formula of 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride is C11H14ClNO3.
What is the molecular weight of 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride?
The molecular weight of 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride is 243.06622 g/mol.
Where can I buy 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride?
You can request a quote for 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.