Benzyl-but-2-ynyl-amine
TL;DR: Benzyl-but-2-ynyl-amine (CAS 10472-97-6) 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-benzylbut-2-yn-1-amine
Also Known As: N-benzylbut-2-yn-1-amine, Benzyl-but-2-ynyl-amine, BENZYLBUT-2-YNYLAMINE, benzyl(but-2-yn-1-yl)amine, 8-Phenyl-n-octanol
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 1.7995 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 266.05075 |
Chemical Identifiers
| CAS Number | 10472-97-6 |
|---|---|
| SMILES | CC#CCNCC1=CC=CC=C1 |
Product Overview
Benzyl-but-2-ynyl-amine (CAS 10472-97-6), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: N-benzylbut-2-yn-1-amine.
Chemical Property Profile of Benzyl-but-2-ynyl-amine
Property Insights of Benzyl-but-2-ynyl-amine
The XLogP value of 1.7995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl-but-2-ynyl-amine. With a topological polar surface area (TPSA) of 12.03 Ų, Benzyl-but-2-ynyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-but-2-ynyl-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 Benzyl-but-2-ynyl-amine?
The CAS number of Benzyl-but-2-ynyl-amine is 10472-97-6.
What is the molecular formula of Benzyl-but-2-ynyl-amine?
The molecular formula of Benzyl-but-2-ynyl-amine is C11H13N.
What is the molecular weight of Benzyl-but-2-ynyl-amine?
The molecular weight of Benzyl-but-2-ynyl-amine is 159.10 g/mol.
Where can I buy Benzyl-but-2-ynyl-amine?
You can request a quote for Benzyl-but-2-ynyl-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-but-2-ynyl-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-but-2-ynyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.