4-Heptyn-3-amine, 3-ethyl-, hydrochloride
TL;DR: 4-Heptyn-3-amine, 3-ethyl-, hydrochloride (CAS 61822-39-7) is a chemical compound with molecular formula C9H18ClN and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylhept-4-yn-3-ylazanium chloride
Also Known As: LCG 21638, 3-Ethyl-4-heptyn-3-amine hydrochloride, 3-ethylhept-4-yn-3-ylazanium chloride, 4-HEPTYN-3-AMINE, 3-ETHYL-, HYDROCHLORIDE
| Molecular Formula | C9H18ClN |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 27.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.11278 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 61822-39-7 |
|---|---|
| SMILES | CCC#CC(CC)(CC)[NH3+].[Cl-] |
| InChIKey | MDIWUHDGSWRNJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Heptyn-3-amine, 3-ethyl-, hydrochloride (CAS 61822-39-7), with molecular formula C9H18ClN and molecular weight 175.11 g/mol. IUPAC: 3-ethylhept-4-yn-3-ylazanium chloride.
Chemical Property Profile of 4-Heptyn-3-amine, 3-ethyl-, hydrochloride
Property Insights of 4-Heptyn-3-amine, 3-ethyl-, hydrochloride
The XLogP value of -1.8 indicates that 4-Heptyn-3-amine, 3-ethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.6 Ų, 4-Heptyn-3-amine, 3-ethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptyn-3-amine, 3-ethyl-, hydrochloride has 1 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 4-Heptyn-3-amine, 3-ethyl-, hydrochloride?
The CAS number of 4-Heptyn-3-amine, 3-ethyl-, hydrochloride is 61822-39-7.
What is the molecular formula of 4-Heptyn-3-amine, 3-ethyl-, hydrochloride?
The molecular formula of 4-Heptyn-3-amine, 3-ethyl-, hydrochloride is C9H18ClN.
What is the molecular weight of 4-Heptyn-3-amine, 3-ethyl-, hydrochloride?
The molecular weight of 4-Heptyn-3-amine, 3-ethyl-, hydrochloride is 175.11 g/mol.
Where can I buy 4-Heptyn-3-amine, 3-ethyl-, hydrochloride?
You can request a quote for 4-Heptyn-3-amine, 3-ethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptyn-3-amine, 3-ethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptyn-3-amine, 3-ethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.