1-(3-Chloropropyl)piperazine dihydrochloride monohydrate
TL;DR: 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate (CAS 1049713-57-6) is a chemical compound with molecular formula C7H19Cl3N2O and molecular weight 252.05629 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloropropyl)piperazine;hydrate;dihydrochloride
Also Known As: EINECS 252-211-4, 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate, 1-(3-Chloroprop-1-yl)piperazine dihydrochloride hemihydrate, 1-(3-Chloropropyl)piperazine HCl hydrate, 1-(3-Chloropropyl)piperazine diHCl hemihydrate
Technical Specifications
| Molecular Formula | C7H19Cl3N2O |
| Molecular Weight | 252.05629 g/mol |
| XLogP | 0.5394 |
| Topological Polar Surface Area (TPSA) | 16.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.05629 Da |
| Heavy Atoms | 13 |
| Complexity | 81.0 |
| SMILES | C1CN(CCN1)CCCCl.O.Cl.Cl |
| InChIKey | SZJBSCDUZKUYQE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate
Property Insights of 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate
The XLogP value of 0.5394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate. With a topological polar surface area (TPSA) of 16.3 Ų, 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate has 4 hydrogen bond donor(s) and 3 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-(3-Chloropropyl)piperazine dihydrochloride monohydrate?
The CAS number of 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate is 1049713-57-6.
What is the molecular formula of 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate?
The molecular formula of 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate is C7H19Cl3N2O.
What is the molecular weight of 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate?
The molecular weight of 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate is 252.05629 g/mol.
Where can I buy 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate?
You can request a quote for 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.