三环(3.3.1.13,7)癸烷-2-乙胺
TL;DR: 三环(3.3.1.13,7)癸烷-2-乙胺 (CAS 59807-53-3) is a chemical compound with molecular formula C12H21N and molecular weight 179.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三环(3.3.1.13,7)癸烷-2-乙胺
2-(2-adamantyl)ethanamine
Also Known As: 2-(Adamantan-2-yl)ethanamine, 2-(2-Adamantyl)ethanamine, 2-adamantanylethylamine, 2-(2-Adamantyl)ethylamine, 2-Adamantyl-2-ethylamine
| Molecular Formula | C12H21N |
|---|---|
| Molecular Weight | 179.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.1674 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 59807-53-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3CCN |
| InChIKey | QQIDWRBNXQXUMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三环(3.3.1.13,7)癸烷-2-乙胺 (CAS 59807-53-3), with molecular formula C12H21N and molecular weight 179.17 g/mol. IUPAC: 2-(2-adamantyl)ethanamine.
Chemical Property Profile of 三环(3.3.1.13,7)癸烷-2-乙胺
Property Insights of 三环(3.3.1.13,7)癸烷-2-乙胺
The XLogP value of 3.0 indicates that 三环(3.3.1.13,7)癸烷-2-乙胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 三环(3.3.1.13,7)癸烷-2-乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三环(3.3.1.13,7)癸烷-2-乙胺 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 三环(3.3.1.13,7)癸烷-2-乙胺?
The CAS number of 三环(3.3.1.13,7)癸烷-2-乙胺 is 59807-53-3.
What is the molecular formula of 三环(3.3.1.13,7)癸烷-2-乙胺?
The molecular formula of 三环(3.3.1.13,7)癸烷-2-乙胺 is C12H21N.
What is the molecular weight of 三环(3.3.1.13,7)癸烷-2-乙胺?
The molecular weight of 三环(3.3.1.13,7)癸烷-2-乙胺 is 179.17 g/mol.
Where can I buy 三环(3.3.1.13,7)癸烷-2-乙胺?
You can request a quote for 三环(3.3.1.13,7)癸烷-2-乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三环(3.3.1.13,7)癸烷-2-乙胺?
Yes, KEHONG BIO provides custom synthesis services for 三环(3.3.1.13,7)癸烷-2-乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.