N-(3-phenylprop-2-ynyl)butan-1-amine
TL;DR: N-(3-phenylprop-2-ynyl)butan-1-amine (CAS 445255-32-3) 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-(3-phenylprop-2-ynyl)butan-1-amine
Also Known As: D-treoninol, N-(3-phenylprop-2-ynyl)butan-1-amine, N-(3-phenylprop-2-yn-1-yl)butan-1-amine, N-BUTYL-3-PHENYL-2-PROPYN-1-AMINE, N-Butyl-3-phenylpropargylamine
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 2.4278 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 292.00674 |
Chemical Identifiers
| CAS Number | 445255-32-3 |
|---|---|
| SMILES | CCCCNCC#CC1=CC=CC=C1 |
Product Overview
N-(3-phenylprop-2-ynyl)butan-1-amine (CAS 445255-32-3), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: N-(3-phenylprop-2-ynyl)butan-1-amine.
Chemical Property Profile of N-(3-phenylprop-2-ynyl)butan-1-amine
Property Insights of N-(3-phenylprop-2-ynyl)butan-1-amine
The XLogP value of 2.4278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-phenylprop-2-ynyl)butan-1-amine. With a topological polar surface area (TPSA) of 12.03 Ų, N-(3-phenylprop-2-ynyl)butan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-phenylprop-2-ynyl)butan-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-(3-phenylprop-2-ynyl)butan-1-amine?
The CAS number of N-(3-phenylprop-2-ynyl)butan-1-amine is 445255-32-3.
What is the molecular formula of N-(3-phenylprop-2-ynyl)butan-1-amine?
The molecular formula of N-(3-phenylprop-2-ynyl)butan-1-amine is C13H17N.
What is the molecular weight of N-(3-phenylprop-2-ynyl)butan-1-amine?
The molecular weight of N-(3-phenylprop-2-ynyl)butan-1-amine is 187.14 g/mol.
Where can I buy N-(3-phenylprop-2-ynyl)butan-1-amine?
You can request a quote for N-(3-phenylprop-2-ynyl)butan-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-(3-phenylprop-2-ynyl)butan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-phenylprop-2-ynyl)butan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.