N,N-二丁基苯乙胺
TL;DR: N,N-二丁基苯乙胺 (CAS 5779-51-1) is a chemical compound with molecular formula C16H27N and molecular weight 233.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-二丁基苯乙胺
N-butyl-N-(2-phenylethyl)butan-1-amine
Also Known As: N,N-Dibutylphenethylamine, DIBUTYL-PHENETHYL-AMINE, Phenethyldibutylamine, Phenethylamine, N,N-dibutyl-, Dibutyl(phenethyl)amine
| Molecular Formula | C16H27N |
|---|---|
| Molecular Weight | 233.21 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 233.21436 |
| Heavy Atoms | 17 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5779-51-1 |
|---|---|
| SMILES | CCCCN(CCCC)CCC1=CC=CC=C1 |
| InChIKey | LEHSOUZQZPUDEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-二丁基苯乙胺 (CAS 5779-51-1), with molecular formula C16H27N and molecular weight 233.21 g/mol. IUPAC: N-butyl-N-(2-phenylethyl)butan-1-amine.
Chemical Property Profile of N,N-二丁基苯乙胺
Property Insights of N,N-二丁基苯乙胺
The XLogP value of 4.7 indicates that N,N-二丁基苯乙胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-二丁基苯乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-二丁基苯乙胺 has 0 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,N-二丁基苯乙胺?
The CAS number of N,N-二丁基苯乙胺 is 5779-51-1.
What is the molecular formula of N,N-二丁基苯乙胺?
The molecular formula of N,N-二丁基苯乙胺 is C16H27N.
What is the molecular weight of N,N-二丁基苯乙胺?
The molecular weight of N,N-二丁基苯乙胺 is 233.21 g/mol.
Where can I buy N,N-二丁基苯乙胺?
You can request a quote for N,N-二丁基苯乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-二丁基苯乙胺?
Yes, KEHONG BIO provides custom synthesis services for N,N-二丁基苯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.