1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride
TL;DR: 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride (CAS 102584-62-3) is a chemical compound with molecular formula C8H16Cl3N and molecular weight 231.03484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-bis(2-chloroethyl)pyrrolidin-1-ium chloride
Also Known As: 1,1-Bis(2-chloroethyl)pyrrolidinium chloride, Pyrrolidinium, 1,1-bis(2-chloroethyl)-, chloride, 1,1-bis(2-chloroethyl)pyrrolidin-1-ium chloride, 1,1-bis(2-chloroethyl)-2,3,4,5-tetrahydropyrrole Chloride
Technical Specifications
| Molecular Formula | C8H16Cl3N |
| Molecular Weight | 231.03484 g/mol |
| XLogP | -0.9214 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.03484 Da |
| Heavy Atoms | 12 |
| Complexity | 103.0 |
| SMILES | C1CC[N+](C1)(CCCl)CCCl.[Cl-] |
| InChIKey | GATYSSLIAAOHEO-UHFFFAOYSA-M |
Chemical Property Profile of 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride
Property Insights of 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride
The XLogP value of -0.9214 indicates that 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride?
The CAS number of 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride is 102584-62-3.
What is the molecular formula of 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride?
The molecular formula of 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride is C8H16Cl3N.
What is the molecular weight of 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride?
The molecular weight of 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride is 231.03484 g/mol.
Where can I buy 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride?
You can request a quote for 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride?
Yes, CoreyChem provides custom synthesis services for 1,1-Bis(2-chloroethyl)pyrrolidin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.