Diallylamine hydrochloride
TL;DR: Diallylamine hydrochloride (CAS 6147-66-6) is a chemical compound with molecular formula C6H12ClN and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enylprop-2-en-1-amine;hydrochloride
Also Known As: Diallylamine hydrochloride, Diallylamine HCl, diallylammonium chloride, Diallylamine, hydrochloride, diallylarnmonium chloride
| Molecular Formula | C6H12ClN |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 1.3698 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 133.06583 |
| Heavy Atoms | 8 |
| Complexity | 49.0 |
Chemical Identifiers
| CAS Number | 6147-66-6 |
|---|---|
| SMILES | C=CCNCC=C.Cl |
| InChIKey | PZNOBXVHZYGUEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallylamine hydrochloride (CAS 6147-66-6), with molecular formula C6H12ClN and molecular weight 133.07 g/mol. IUPAC: N-prop-2-enylprop-2-en-1-amine;hydrochloride.
Chemical Property Profile of Diallylamine hydrochloride
Property Insights of Diallylamine hydrochloride
The XLogP value of 1.3698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallylamine hydrochloride. With a topological polar surface area (TPSA) of 12.0 Ų, Diallylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallylamine 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 Diallylamine hydrochloride?
The CAS number of Diallylamine hydrochloride is 6147-66-6.
What is the molecular formula of Diallylamine hydrochloride?
The molecular formula of Diallylamine hydrochloride is C6H12ClN.
What is the molecular weight of Diallylamine hydrochloride?
The molecular weight of Diallylamine hydrochloride is 133.07 g/mol.
Where can I buy Diallylamine hydrochloride?
You can request a quote for Diallylamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallylamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Diallylamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.