Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
TL;DR: Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride (CAS 2056-22-6) is a chemical compound with molecular formula C21H30Cl4N2 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylazaniumyl]heptyl]azanium dichloride
Also Known As: N,N'-Heptamethylenebis(2-chlorobenzylamine) dihydrochloride, 1,7-Heptanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride, N,N'-Bis(o-chlorobenzyl)heptamethylenediamine dihydrochloride, Benzylamine, N,N'-heptamethylenebis(2-chloro-, dihydrochloride, HEPTAMETHYLENEDIAMINE, N,N'-BIS(o-CHLOROBENZYL)-, DIHYDROCHLORIDE
| Molecular Formula | C21H30Cl4N2 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | -2.22 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 452.11337 |
| Heavy Atoms | 27 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 2056-22-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C[NH2+]CCCCCCC[NH2+]CC2=CC=CC=C2Cl)Cl.[Cl-].[Cl-] |
| InChIKey | BILUIINOGWXODV-UHFFFAOYSA-N |
Product Overview
Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride (CAS 2056-22-6), with molecular formula C21H30Cl4N2 and molecular weight 450.12 g/mol. IUPAC: (2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylazaniumyl]heptyl]azanium dichloride.
Chemical Property Profile of Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
Property Insights of Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
The XLogP value of -2.22 indicates that Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.2 Ų, Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
The CAS number of Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride is 2056-22-6.
What is the molecular formula of Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
The molecular formula of Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride is C21H30Cl4N2.
What is the molecular weight of Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
The molecular weight of Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride is 450.12 g/mol.
Where can I buy Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
You can request a quote for Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.