N-phenethylprop-2-yn-1-amine
TL;DR: N-phenethylprop-2-yn-1-amine (CAS 58185-47-0) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylethyl)prop-2-yn-1-amine
Also Known As: N-phenethylprop-2-yn-1-amine, N-propargylphenethylamine, Benzylmethylpropargylamine, N-(2-phenylethyl)prop-2-yn-1-amine, N-phenethyl-N-prop-2-ynylamine
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 1.4519 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 245.45667 |
Chemical Identifiers
| CAS Number | 58185-47-0 |
|---|---|
| SMILES | C#CCNCCC1=CC=CC=C1 |
Product Overview
N-phenethylprop-2-yn-1-amine (CAS 58185-47-0), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: N-(2-phenylethyl)prop-2-yn-1-amine.
Chemical Property Profile of N-phenethylprop-2-yn-1-amine
Property Insights of N-phenethylprop-2-yn-1-amine
The XLogP value of 1.4519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenethylprop-2-yn-1-amine. With a topological polar surface area (TPSA) of 12.03 Ų, N-phenethylprop-2-yn-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenethylprop-2-yn-1-amine 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-phenethylprop-2-yn-1-amine?
The CAS number of N-phenethylprop-2-yn-1-amine is 58185-47-0.
What is the molecular formula of N-phenethylprop-2-yn-1-amine?
The molecular formula of N-phenethylprop-2-yn-1-amine is C11H13N.
What is the molecular weight of N-phenethylprop-2-yn-1-amine?
The molecular weight of N-phenethylprop-2-yn-1-amine is 159.10 g/mol.
Where can I buy N-phenethylprop-2-yn-1-amine?
You can request a quote for N-phenethylprop-2-yn-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-phenethylprop-2-yn-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-phenethylprop-2-yn-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.