Dietylaminopropin
TL;DR: Dietylaminopropin (CAS 4079-68-9) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylprop-2-yn-1-amine
Also Known As: N,N-Diethylpropargylamine, 1-Diethylamino-2-propyne, Diethylpropargylamine, 3-Diethylamino-1-propyne, 2-Propyn-1-amine, N,N-diethyl-
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 4079-68-9 |
|---|---|
| SMILES | CCN(CC)CC#C |
| InChIKey | JZJXKEWVUBVOEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dietylaminopropin (CAS 4079-68-9), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: N,N-diethylprop-2-yn-1-amine.
Chemical Property Profile of Dietylaminopropin
Property Insights of Dietylaminopropin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dietylaminopropin. With a topological polar surface area (TPSA) of 3.2 Ų, Dietylaminopropin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dietylaminopropin has 0 hydrogen bond donor(s) and 1 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 Dietylaminopropin?
The CAS number of Dietylaminopropin is 4079-68-9.
What is the molecular formula of Dietylaminopropin?
The molecular formula of Dietylaminopropin is C7H13N.
What is the molecular weight of Dietylaminopropin?
The molecular weight of Dietylaminopropin is 111.10 g/mol.
Where can I buy Dietylaminopropin?
You can request a quote for Dietylaminopropin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dietylaminopropin?
Yes, KEHONG BIO provides custom synthesis services for Dietylaminopropin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.