Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride
TL;DR: Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride (CAS 101914-01-6) is a chemical compound with molecular formula C9H16Cl2N4 and molecular weight 250.0752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
Also Known As: 2-Chloroallylhexaminium chloride, 3-(2-Chloroallyl)hexamethylenetetraminium chloride, HEXAMETHYLENETETRAMINIUM, 3-(2-CHLOROALLYL)-, CHLORIDE, 1-(2-Chloroprop-2-en-1-yl)-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium chloride, 1-(2-chloroprop-2-en-1-yl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
Technical Specifications
| Molecular Formula | C9H16Cl2N4 |
| Molecular Weight | 250.0752 g/mol |
| XLogP | -2.75 |
| Topological Polar Surface Area (TPSA) | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0752 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C=C(C[N+]12CN3CN(C1)CN(C3)C2)Cl.[Cl-] |
| InChIKey | NQYBHJCRYFEONJ-UHFFFAOYSA-M |
Chemical Property Profile of Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride
Property Insights of Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride
The XLogP value of -2.75 indicates that Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.7 Ų, Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride has 0 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 Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride?
The CAS number of Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride is 101914-01-6.
What is the molecular formula of Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride?
The molecular formula of Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride is C9H16Cl2N4.
What is the molecular weight of Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride?
The molecular weight of Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride is 250.0752 g/mol.
Where can I buy Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride?
You can request a quote for Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride?
Yes, CoreyChem provides custom synthesis services for Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.