N-Butyldiethanolamine
TL;DR: N-Butyldiethanolamine (CAS 102-79-4) is a chemical compound with molecular formula C8H19NO2 and molecular weight 161.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butyl(2-hydroxyethyl)amino]ethanol
Also Known As: N-Butyldiethanolamine, Butyldiethanolamine, BIDE, 2,2-(Butylimino)diethanol, 2,2'-Butyliminodiethanol
| Molecular Formula | C8H19NO2 |
|---|---|
| Molecular Weight | 161.14 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 161.14159 |
| Heavy Atoms | 11 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 102-79-4 |
|---|---|
| SMILES | CCCCN(CCO)CCO |
| InChIKey | GVNHOISKXMSMPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Butyldiethanolamine (CAS 102-79-4), with molecular formula C8H19NO2 and molecular weight 161.14 g/mol. IUPAC: 2-[butyl(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of N-Butyldiethanolamine
Property Insights of N-Butyldiethanolamine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyldiethanolamine. With a topological polar surface area (TPSA) of 43.7 Ų, N-Butyldiethanolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyldiethanolamine has 2 hydrogen bond donor(s) and 3 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 N-Butyldiethanolamine?
The CAS number of N-Butyldiethanolamine is 102-79-4.
What is the molecular formula of N-Butyldiethanolamine?
The molecular formula of N-Butyldiethanolamine is C8H19NO2.
What is the molecular weight of N-Butyldiethanolamine?
The molecular weight of N-Butyldiethanolamine is 161.14 g/mol.
Where can I buy N-Butyldiethanolamine?
You can request a quote for N-Butyldiethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyldiethanolamine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyldiethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.