Diethylbutylamine
TL;DR: Diethylbutylamine (CAS 4444-68-2) is a chemical compound with molecular formula C8H19N and molecular weight 129.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylbutan-1-amine
Also Known As: N,N-diethylbutan-1-amine, DIETHYLBUTYLAMINE, N,N-Diethylbutylamine, butyldiethylamine, N,N-Diethyl butylamine
| Molecular Formula | C8H19N |
|---|---|
| Molecular Weight | 129.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 129.15175 |
| Heavy Atoms | 9 |
| Complexity | 48.0 |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 4444-68-2 |
|---|---|
| SMILES | CCCCN(CC)CC |
| InChIKey | ORSUTASIQKBEFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethylbutylamine (CAS 4444-68-2), with molecular formula C8H19N and molecular weight 129.15 g/mol. IUPAC: N,N-diethylbutan-1-amine.
Chemical Property Profile of Diethylbutylamine
Property Insights of Diethylbutylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylbutylamine. With a topological polar surface area (TPSA) of 3.2 Ų, Diethylbutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylbutylamine has 0 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 Diethylbutylamine?
The CAS number of Diethylbutylamine is 4444-68-2.
What is the molecular formula of Diethylbutylamine?
The molecular formula of Diethylbutylamine is C8H19N.
What is the molecular weight of Diethylbutylamine?
The molecular weight of Diethylbutylamine is 129.15 g/mol.
Where can I buy Diethylbutylamine?
You can request a quote for Diethylbutylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylbutylamine?
Yes, KEHONG BIO provides custom synthesis services for Diethylbutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.