1-Benzyl-1-methylpiperazinium chloride
TL;DR: 1-Benzyl-1-methylpiperazinium chloride (CAS 113222-04-1) is a chemical compound with molecular formula C12H19ClN2 and molecular weight 226.12367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-1-methylpiperazin-1-ium chloride
Also Known As: NIOSH/TM2992300, 1-Benzyl-1-methylpiperazinium chloride, 1-benzyl-1-methyl-piperazinium chloride, 1-benzyl-1-methyl-piperazinium; chloride, 1-benzyl-1-methylpiperazin-1-ium chloride
Technical Specifications
| Molecular Formula | C12H19ClN2 |
| Molecular Weight | 226.12367 g/mol |
| XLogP | -1.7596 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.12367 Da |
| Heavy Atoms | 15 |
| Complexity | 167.0 |
| SMILES | C[N+]1(CCNCC1)CC2=CC=CC=C2.[Cl-] |
| InChIKey | PKTZESJNQXDNAG-UHFFFAOYSA-M |
Chemical Property Profile of 1-Benzyl-1-methylpiperazinium chloride
Property Insights of 1-Benzyl-1-methylpiperazinium chloride
The XLogP value of -1.7596 indicates that 1-Benzyl-1-methylpiperazinium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.0 Ų, 1-Benzyl-1-methylpiperazinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-1-methylpiperazinium chloride 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
What is the CAS number of 1-Benzyl-1-methylpiperazinium chloride?
The CAS number of 1-Benzyl-1-methylpiperazinium chloride is 113222-04-1.
What is the molecular formula of 1-Benzyl-1-methylpiperazinium chloride?
The molecular formula of 1-Benzyl-1-methylpiperazinium chloride is C12H19ClN2.
What is the molecular weight of 1-Benzyl-1-methylpiperazinium chloride?
The molecular weight of 1-Benzyl-1-methylpiperazinium chloride is 226.12367 g/mol.
Where can I buy 1-Benzyl-1-methylpiperazinium chloride?
You can request a quote for 1-Benzyl-1-methylpiperazinium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-1-methylpiperazinium chloride?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-1-methylpiperazinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.