1-Propylethylenediamine
TL;DR: 1-Propylethylenediamine (CAS 111-39-7) is a chemical compound with molecular formula C5H14N2 and molecular weight 102.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-propylethane-1,2-diamine
Also Known As: N-Propylethylenediamine, N-(N-Propyl)Ethylenediamine, 1,2-Ethanediamine, N-propyl-, Ethylenediamine, N-propyl-, 1-propylethylenediamine
| Molecular Formula | C5H14N2 |
|---|---|
| Molecular Weight | 102.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 102.1157 |
| Heavy Atoms | 7 |
| Complexity | 29.0 |
Chemical Identifiers
| CAS Number | 111-39-7 |
|---|---|
| SMILES | CCCNCCN |
| InChIKey | CFNHVUGPXZUTRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propylethylenediamine (CAS 111-39-7), with molecular formula C5H14N2 and molecular weight 102.12 g/mol. IUPAC: N'-propylethane-1,2-diamine.
Chemical Property Profile of 1-Propylethylenediamine
Property Insights of 1-Propylethylenediamine
The XLogP value of -0.3 indicates that 1-Propylethylenediamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.1 Ų, 1-Propylethylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propylethylenediamine has 2 hydrogen bond donor(s) and 2 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 1-Propylethylenediamine?
The CAS number of 1-Propylethylenediamine is 111-39-7.
What is the molecular formula of 1-Propylethylenediamine?
The molecular formula of 1-Propylethylenediamine is C5H14N2.
What is the molecular weight of 1-Propylethylenediamine?
The molecular weight of 1-Propylethylenediamine is 102.12 g/mol.
Where can I buy 1-Propylethylenediamine?
You can request a quote for 1-Propylethylenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propylethylenediamine?
Yes, KEHONG BIO provides custom synthesis services for 1-Propylethylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.