Isopropyldiethanolamine
TL;DR: Isopropyldiethanolamine (CAS 121-93-7) is a chemical compound with molecular formula C7H17NO2 and molecular weight 147.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxyethyl(propan-2-yl)amino]ethanol
Also Known As: Isopropyldiethanolamine, Diethanolisopropylamine, 2,2'-(Isopropylimino)diethanol, n-isopropyldiethanolamine, IPDEA
| Molecular Formula | C7H17NO2 |
|---|---|
| Molecular Weight | 147.13 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 147.12593 |
| Heavy Atoms | 10 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 121-93-7 |
|---|---|
| SMILES | CC(C)N(CCO)CCO |
| InChIKey | HHRGNKUNRVABBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyldiethanolamine (CAS 121-93-7), with molecular formula C7H17NO2 and molecular weight 147.13 g/mol. IUPAC: 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol.
Chemical Property Profile of Isopropyldiethanolamine
Property Insights of Isopropyldiethanolamine
The XLogP value of -0.3 indicates that Isopropyldiethanolamine 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, Isopropyldiethanolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyldiethanolamine 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 Isopropyldiethanolamine?
The CAS number of Isopropyldiethanolamine is 121-93-7.
What is the molecular formula of Isopropyldiethanolamine?
The molecular formula of Isopropyldiethanolamine is C7H17NO2.
What is the molecular weight of Isopropyldiethanolamine?
The molecular weight of Isopropyldiethanolamine is 147.13 g/mol.
Where can I buy Isopropyldiethanolamine?
You can request a quote for Isopropyldiethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyldiethanolamine?
Yes, KEHONG BIO provides custom synthesis services for Isopropyldiethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.