Trimethyl(prop-2-ynyl)azanium
TL;DR: Trimethyl(prop-2-ynyl)azanium (CAS 78517-60-9) is a chemical compound with molecular formula C6H12N+ and molecular weight 98.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl(prop-2-ynyl)azanium
Also Known As: trimethylaminium, Propargyltrimethylaminium, 2-Propynyltrimethylaminium, (2-Propynyl)trimethylaminium, trimethyl(prop-2-ynyl)azanium
| Molecular Formula | C6H12N+ |
|---|---|
| Molecular Weight | 98.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.09698 |
| Heavy Atoms | 7 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 78517-60-9 |
|---|---|
| SMILES | C[N+](C)(C)CC#C |
| InChIKey | LGGJEZQSZBHNBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethyl(prop-2-ynyl)azanium (CAS 78517-60-9), with molecular formula C6H12N+ and molecular weight 98.10 g/mol. IUPAC: trimethyl(prop-2-ynyl)azanium.
Chemical Property Profile of Trimethyl(prop-2-ynyl)azanium
Property Insights of Trimethyl(prop-2-ynyl)azanium
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl(prop-2-ynyl)azanium. With a topological polar surface area (TPSA) of 0.0 Ų, Trimethyl(prop-2-ynyl)azanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethyl(prop-2-ynyl)azanium has 0 hydrogen bond donor(s) and 0 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 Trimethyl(prop-2-ynyl)azanium?
The CAS number of Trimethyl(prop-2-ynyl)azanium is 78517-60-9.
What is the molecular formula of Trimethyl(prop-2-ynyl)azanium?
The molecular formula of Trimethyl(prop-2-ynyl)azanium is C6H12N+.
What is the molecular weight of Trimethyl(prop-2-ynyl)azanium?
The molecular weight of Trimethyl(prop-2-ynyl)azanium is 98.10 g/mol.
Where can I buy Trimethyl(prop-2-ynyl)azanium?
You can request a quote for Trimethyl(prop-2-ynyl)azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl(prop-2-ynyl)azanium?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl(prop-2-ynyl)azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.