Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
TL;DR: Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride (CAS 2229-39-2) is a chemical compound with molecular formula C19H26Cl4N2 and molecular weight 422.08502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis[(2-chlorophenyl)methyl]pentane-1,5-diamine;dihydrochloride
Also Known As: 3-methylen-2,6-heptandione, N,N'-Pentamethylenebis(2-chlorobenzylamine) dihydrochloride, N,N'-Bis(o-chlorobenzyl)pentamethylenediamine dihydrochloride, 1,5-Pentanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride, Benzylamine, N,N'-pentamethylenebis(2-chloro-, dihydrochloride
Technical Specifications
| Molecular Formula | C19H26Cl4N2 |
| Molecular Weight | 422.08502 g/mol |
| XLogP | 5.89 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.08206 Da |
| Heavy Atoms | 25 |
| Complexity | 273.0 |
| SMILES | C1=CC=C(C(=C1)CNCCCCCNCC2=CC=CC=C2Cl)Cl.Cl.Cl |
| InChIKey | VFZXCZMELDLREE-UHFFFAOYSA-N |
Chemical Property Profile of Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
Property Insights of Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
The XLogP value of 5.89 indicates that Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
The CAS number of Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride is 2229-39-2.
What is the molecular formula of Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
The molecular formula of Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride is C19H26Cl4N2.
What is the molecular weight of Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
The molecular weight of Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride is 422.08502 g/mol.
Where can I buy Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
You can request a quote for Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.