N-prop-2-ynylaniline
TL;DR: N-prop-2-ynylaniline (CAS 14465-74-8) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-ynylaniline
Also Known As: N-prop-2-ynylaniline, Phenyl-prop-2-ynyl-amine, N-(prop-2-yn-1-yl)aniline, N-Propargylaniline, N-(2-Propynyl)aniline
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 14465-74-8 |
|---|---|
| SMILES | C#CCNC1=CC=CC=C1 |
| InChIKey | IZKIWEYIOKPHLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-prop-2-ynylaniline (CAS 14465-74-8), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: N-prop-2-ynylaniline.
Chemical Property Profile of N-prop-2-ynylaniline
Property Insights of N-prop-2-ynylaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-prop-2-ynylaniline. With a topological polar surface area (TPSA) of 12.0 Ų, N-prop-2-ynylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-prop-2-ynylaniline has 1 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-prop-2-ynylaniline?
The CAS number of N-prop-2-ynylaniline is 14465-74-8.
What is the molecular formula of N-prop-2-ynylaniline?
The molecular formula of N-prop-2-ynylaniline is C9H9N.
What is the molecular weight of N-prop-2-ynylaniline?
The molecular weight of N-prop-2-ynylaniline is 131.07 g/mol.
Where can I buy N-prop-2-ynylaniline?
You can request a quote for N-prop-2-ynylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-prop-2-ynylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-prop-2-ynylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.