N,N-Diethyl-3-phenyl-2-propyn-1-amine
TL;DR: N,N-Diethyl-3-phenyl-2-propyn-1-amine (CAS 22396-72-1) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-phenylprop-2-yn-1-amine
Also Known As: 3-Diethylamino-1-phenylpropyne, N,N-diethyl-3-phenylprop-2-yn-1-amine, 2-Propynylamine, N,N-diethyl-3-phenyl-, N,N-Diethyl-3-phenyl-2-propynylamine, Diethyl-(3-phenyl-prop-2-ynyl)-amine
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 22396-72-1 |
|---|---|
| SMILES | CCN(CC)CC#CC1=CC=CC=C1 |
| InChIKey | NGTMXVYXKKHDPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-3-phenyl-2-propyn-1-amine (CAS 22396-72-1), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: N,N-diethyl-3-phenylprop-2-yn-1-amine.
Chemical Property Profile of N,N-Diethyl-3-phenyl-2-propyn-1-amine
Property Insights of N,N-Diethyl-3-phenyl-2-propyn-1-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-3-phenyl-2-propyn-1-amine. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Diethyl-3-phenyl-2-propyn-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-3-phenyl-2-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-3-phenyl-2-propyn-1-amine?
The CAS number of N,N-Diethyl-3-phenyl-2-propyn-1-amine is 22396-72-1.
What is the molecular formula of N,N-Diethyl-3-phenyl-2-propyn-1-amine?
The molecular formula of N,N-Diethyl-3-phenyl-2-propyn-1-amine is C13H17N.
What is the molecular weight of N,N-Diethyl-3-phenyl-2-propyn-1-amine?
The molecular weight of N,N-Diethyl-3-phenyl-2-propyn-1-amine is 187.14 g/mol.
Where can I buy N,N-Diethyl-3-phenyl-2-propyn-1-amine?
You can request a quote for N,N-Diethyl-3-phenyl-2-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-3-phenyl-2-propyn-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-3-phenyl-2-propyn-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.