Heptamethylenimine hydrochloride
TL;DR: Heptamethylenimine hydrochloride (CAS 36520-41-9) is a chemical compound with molecular formula C7H16ClN and molecular weight 149.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azocane;hydrochloride
Also Known As: azocane hydrochloride, Heptamethylenimine hydrochloride, azocane;hydrochloride, Octahydroazocine hydrochloride, azocane,hydrochloride
| Molecular Formula | C7H16ClN |
|---|---|
| Molecular Weight | 149.10 g/mol |
| LogP | 1.9619 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.09712 |
| Heavy Atoms | 9 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 36520-41-9 |
|---|---|
| SMILES | C1CCCNCCC1.Cl |
| InChIKey | CQLGMRJLTUALLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptamethylenimine hydrochloride (CAS 36520-41-9), with molecular formula C7H16ClN and molecular weight 149.10 g/mol. IUPAC: azocane;hydrochloride.
Chemical Property Profile of Heptamethylenimine hydrochloride
Property Insights of Heptamethylenimine hydrochloride
The XLogP value of 1.9619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptamethylenimine hydrochloride. With a topological polar surface area (TPSA) of 12.0 Ų, Heptamethylenimine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptamethylenimine hydrochloride has 2 hydrogen bond donor(s) and 1 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 Heptamethylenimine hydrochloride?
The CAS number of Heptamethylenimine hydrochloride is 36520-41-9.
What is the molecular formula of Heptamethylenimine hydrochloride?
The molecular formula of Heptamethylenimine hydrochloride is C7H16ClN.
What is the molecular weight of Heptamethylenimine hydrochloride?
The molecular weight of Heptamethylenimine hydrochloride is 149.10 g/mol.
Where can I buy Heptamethylenimine hydrochloride?
You can request a quote for Heptamethylenimine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptamethylenimine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Heptamethylenimine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.