N,N-diethyl-2-phenylethynamine
TL;DR: N,N-diethyl-2-phenylethynamine (CAS 4231-26-9) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-phenylethynamine
Also Known As: N,N-diethyl-2-phenylethynamine, ethynamine, N,N-diethyl-2-phenyl-, (Phenylethynyl)diethylamine, N,N-diethyl-2-phenylacetylenamine, 2-(diethylamino)-1-phenylacetylene
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 4231-26-9 |
|---|---|
| SMILES | CCN(CC)C#CC1=CC=CC=C1 |
| InChIKey | UUQMJSGFWLACFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-diethyl-2-phenylethynamine (CAS 4231-26-9), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: N,N-diethyl-2-phenylethynamine.
Chemical Property Profile of N,N-diethyl-2-phenylethynamine
Property Insights of N,N-diethyl-2-phenylethynamine
The XLogP value of 3.4 indicates that N,N-diethyl-2-phenylethynamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-diethyl-2-phenylethynamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-2-phenylethynamine 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-2-phenylethynamine?
The CAS number of N,N-diethyl-2-phenylethynamine is 4231-26-9.
What is the molecular formula of N,N-diethyl-2-phenylethynamine?
The molecular formula of N,N-diethyl-2-phenylethynamine is C12H15N.
What is the molecular weight of N,N-diethyl-2-phenylethynamine?
The molecular weight of N,N-diethyl-2-phenylethynamine is 173.12 g/mol.
Where can I buy N,N-diethyl-2-phenylethynamine?
You can request a quote for N,N-diethyl-2-phenylethynamine 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-2-phenylethynamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-2-phenylethynamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.