N,N-Diethyl-1-propyn-1-amine
TL;DR: N,N-Diethyl-1-propyn-1-amine (CAS 4231-35-0) 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-1-yn-1-amine
Also Known As: Diethyl(1-propynyl)amine, Propargyldiethylamine, (Diethylamino)propyne, Diethylamino-1-propyne, N,N-diethylprop-1-yn-1-amine
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 2.1 |
| 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 | 100.0 |
Chemical Identifiers
| CAS Number | 4231-35-0 |
|---|---|
| SMILES | CCN(CC)C#CC |
| InChIKey | RJSCZBRDRBIRHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-1-propyn-1-amine (CAS 4231-35-0), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: N,N-diethylprop-1-yn-1-amine.
Chemical Property Profile of N,N-Diethyl-1-propyn-1-amine
Property Insights of N,N-Diethyl-1-propyn-1-amine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-1-propyn-1-amine. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Diethyl-1-propyn-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-1-propyn-1-amine 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 N,N-Diethyl-1-propyn-1-amine?
The CAS number of N,N-Diethyl-1-propyn-1-amine is 4231-35-0.
What is the molecular formula of N,N-Diethyl-1-propyn-1-amine?
The molecular formula of N,N-Diethyl-1-propyn-1-amine is C7H13N.
What is the molecular weight of N,N-Diethyl-1-propyn-1-amine?
The molecular weight of N,N-Diethyl-1-propyn-1-amine is 111.10 g/mol.
Where can I buy N,N-Diethyl-1-propyn-1-amine?
You can request a quote for N,N-Diethyl-1-propyn-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-1-propyn-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-1-propyn-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.