(3-Aminopropyl)diethanolamine
TL;DR: (3-Aminopropyl)diethanolamine (CAS 4985-85-7) is a chemical compound with molecular formula C7H18N2O2 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol
Also Known As: N-(3-Aminopropyl)diethanolamine, Aminopropyldiethanolamine, (3-Aminopropyl)diethanolamine, N,3-propanediamine, 2,2'-[(3-Aminopropyl)imino]diethanol
| Molecular Formula | C7H18N2O2 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 162.13683 |
| Heavy Atoms | 11 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 4985-85-7 |
|---|---|
| SMILES | C(CN)CN(CCO)CCO |
| InChIKey | FKJVYOFPTRGCSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Aminopropyl)diethanolamine (CAS 4985-85-7), with molecular formula C7H18N2O2 and molecular weight 162.14 g/mol. IUPAC: 2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of (3-Aminopropyl)diethanolamine
Property Insights of (3-Aminopropyl)diethanolamine
The XLogP value of -1.7 indicates that (3-Aminopropyl)diethanolamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Aminopropyl)diethanolamine. Following Lipinski's Rule of Five, (3-Aminopropyl)diethanolamine has 3 hydrogen bond donor(s) and 4 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 (3-Aminopropyl)diethanolamine?
The CAS number of (3-Aminopropyl)diethanolamine is 4985-85-7.
What is the molecular formula of (3-Aminopropyl)diethanolamine?
The molecular formula of (3-Aminopropyl)diethanolamine is C7H18N2O2.
What is the molecular weight of (3-Aminopropyl)diethanolamine?
The molecular weight of (3-Aminopropyl)diethanolamine is 162.14 g/mol.
Where can I buy (3-Aminopropyl)diethanolamine?
You can request a quote for (3-Aminopropyl)diethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Aminopropyl)diethanolamine?
Yes, KEHONG BIO provides custom synthesis services for (3-Aminopropyl)diethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.