tert-Butyldiethanolamine
TL;DR: tert-Butyldiethanolamine (CAS 2160-93-2) 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-[tert-butyl(2-hydroxyethyl)amino]ethanol
Also Known As: tert-Butyldiethanolamine, N-tert-Butyldiethanolamine, N-t-Butyldiethanolamine, 2,2'-(tert-Butylimino)diethanol, 2,2'-(Tert-butylazanediyl)diethanol
| 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 | 5 |
| Exact Mass | 161.14159 |
| Heavy Atoms | 11 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 2160-93-2 |
|---|---|
| SMILES | CC(C)(C)N(CCO)CCO |
| InChIKey | XHJGXOOOMKCJPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyldiethanolamine (CAS 2160-93-2), with molecular formula C8H19NO2 and molecular weight 161.14 g/mol. IUPAC: 2-[tert-butyl(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of tert-Butyldiethanolamine
Property Insights of tert-Butyldiethanolamine
The XLogP value of -0.1 indicates that tert-Butyldiethanolamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.7 Ų, tert-Butyldiethanolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-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 tert-Butyldiethanolamine?
The CAS number of tert-Butyldiethanolamine is 2160-93-2.
What is the molecular formula of tert-Butyldiethanolamine?
The molecular formula of tert-Butyldiethanolamine is C8H19NO2.
What is the molecular weight of tert-Butyldiethanolamine?
The molecular weight of tert-Butyldiethanolamine is 161.14 g/mol.
Where can I buy tert-Butyldiethanolamine?
You can request a quote for tert-Butyldiethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyldiethanolamine?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyldiethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.