3-苯基丙炔胺
TL;DR: 3-苯基丙炔胺 (CAS 78168-74-8) 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.
3-苯基丙炔胺
3-phenylprop-2-yn-1-amine
Also Known As: 3-phenylprop-2-yn-1-amine, 3-Phenyl-2-propyn-1-amine, 3-Phenylpropargylamine, 3-Phenyl-propargylamine, PPAH
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 78168-74-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CCN |
| InChIKey | DEHHYUARFKIUDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基丙炔胺 (CAS 78168-74-8), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 3-phenylprop-2-yn-1-amine.
Chemical Property Profile of 3-苯基丙炔胺
Property Insights of 3-苯基丙炔胺
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基丙炔胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3-苯基丙炔胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基丙炔胺 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 3-苯基丙炔胺?
The CAS number of 3-苯基丙炔胺 is 78168-74-8.
What is the molecular formula of 3-苯基丙炔胺?
The molecular formula of 3-苯基丙炔胺 is C9H9N.
What is the molecular weight of 3-苯基丙炔胺?
The molecular weight of 3-苯基丙炔胺 is 131.07 g/mol.
Where can I buy 3-苯基丙炔胺?
You can request a quote for 3-苯基丙炔胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基丙炔胺?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基丙炔胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.