2-(Heptylamino)ethan-1-ol
TL;DR: 2-(Heptylamino)ethan-1-ol (CAS 3938-88-3) is a chemical compound with molecular formula C9H21NO and molecular weight 159.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(heptylamino)ethanol
Also Known As: 2-(heptylamino)ethan-1-ol, 2-(heptylamino)ethanol, Ethanol, 2-(heptylamino)-
| Molecular Formula | C9H21NO |
|---|---|
| Molecular Weight | 159.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 159.16231 |
| Heavy Atoms | 11 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 3938-88-3 |
|---|---|
| SMILES | CCCCCCCNCCO |
| InChIKey | YNDLAUMXTUJLLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Heptylamino)ethan-1-ol (CAS 3938-88-3), with molecular formula C9H21NO and molecular weight 159.16 g/mol. IUPAC: 2-(heptylamino)ethanol.
Chemical Property Profile of 2-(Heptylamino)ethan-1-ol
Property Insights of 2-(Heptylamino)ethan-1-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Heptylamino)ethan-1-ol. With a topological polar surface area (TPSA) of 32.3 Ų, 2-(Heptylamino)ethan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Heptylamino)ethan-1-ol has 2 hydrogen bond donor(s) and 2 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 2-(Heptylamino)ethan-1-ol?
The CAS number of 2-(Heptylamino)ethan-1-ol is 3938-88-3.
What is the molecular formula of 2-(Heptylamino)ethan-1-ol?
The molecular formula of 2-(Heptylamino)ethan-1-ol is C9H21NO.
What is the molecular weight of 2-(Heptylamino)ethan-1-ol?
The molecular weight of 2-(Heptylamino)ethan-1-ol is 159.16 g/mol.
Where can I buy 2-(Heptylamino)ethan-1-ol?
You can request a quote for 2-(Heptylamino)ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Heptylamino)ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Heptylamino)ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.