N-2-Propyn-1-ylbenzenemethanamine
TL;DR: N-2-Propyn-1-ylbenzenemethanamine (CAS 1197-51-9) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzylprop-2-yn-1-amine
Also Known As: N-benzylprop-2-yn-1-amine, N-Propargylbenzylamine, Benzyl-prop-2-ynyl-amine, benzyl(prop-2-yn-1-yl)amine, Benzylpropargylamine
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 1197-51-9 |
|---|---|
| SMILES | C#CCNCC1=CC=CC=C1 |
| InChIKey | LDYBFSGEBHSTOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-2-Propyn-1-ylbenzenemethanamine (CAS 1197-51-9), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: N-benzylprop-2-yn-1-amine.
Chemical Property Profile of N-2-Propyn-1-ylbenzenemethanamine
Property Insights of N-2-Propyn-1-ylbenzenemethanamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-2-Propyn-1-ylbenzenemethanamine. With a topological polar surface area (TPSA) of 12.0 Ų, N-2-Propyn-1-ylbenzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-2-Propyn-1-ylbenzenemethanamine 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-2-Propyn-1-ylbenzenemethanamine?
The CAS number of N-2-Propyn-1-ylbenzenemethanamine is 1197-51-9.
What is the molecular formula of N-2-Propyn-1-ylbenzenemethanamine?
The molecular formula of N-2-Propyn-1-ylbenzenemethanamine is C10H11N.
What is the molecular weight of N-2-Propyn-1-ylbenzenemethanamine?
The molecular weight of N-2-Propyn-1-ylbenzenemethanamine is 145.09 g/mol.
Where can I buy N-2-Propyn-1-ylbenzenemethanamine?
You can request a quote for N-2-Propyn-1-ylbenzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-Propyn-1-ylbenzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-2-Propyn-1-ylbenzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.