1-乙炔基环己胺
TL;DR: 1-乙炔基环己胺 (CAS 30389-18-5) is a chemical compound with molecular formula C8H13N and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-乙炔基环己胺
1-ethynylcyclohexan-1-amine
Also Known As: 1-Ethynylcyclohexylamine, Cyclohexanamine, 1-ethynyl-, 1-ethynylcyclohexanamine, 1-ethynylcyclohexan-1-amine, Cyclohexanamine,1-ethynyl-
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 30389-18-5 |
|---|---|
| SMILES | C#CC1(CCCCC1)N |
| InChIKey | GDKOYYDQISQOMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-乙炔基环己胺 (CAS 30389-18-5), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 1-ethynylcyclohexan-1-amine.
Chemical Property Profile of 1-乙炔基环己胺
Property Insights of 1-乙炔基环己胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-乙炔基环己胺. With a topological polar surface area (TPSA) of 26.0 Ų, 1-乙炔基环己胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-乙炔基环己胺 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 1-乙炔基环己胺?
The CAS number of 1-乙炔基环己胺 is 30389-18-5.
What is the molecular formula of 1-乙炔基环己胺?
The molecular formula of 1-乙炔基环己胺 is C8H13N.
What is the molecular weight of 1-乙炔基环己胺?
The molecular weight of 1-乙炔基环己胺 is 123.10 g/mol.
Where can I buy 1-乙炔基环己胺?
You can request a quote for 1-乙炔基环己胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-乙炔基环己胺?
Yes, KEHONG BIO provides custom synthesis services for 1-乙炔基环己胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.