α-丁基苯乙胺
TL;DR: α-丁基苯乙胺 (CAS 67309-36-8) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-丁基苯乙胺
1-phenylhexan-2-amine
Also Known As: 1-phenylhexan-2-amine, Phenethylamine, alpha-butyl-, 1-phenylhexyl-2-amine, Benzeneethanamine, alpha-butyl-, alpha-Butylbenzeneethanamine
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 67309-36-8 |
|---|---|
| SMILES | CCCCC(CC1=CC=CC=C1)N |
| InChIKey | UNVLUPRQPLQYGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-丁基苯乙胺 (CAS 67309-36-8), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: 1-phenylhexan-2-amine.
Chemical Property Profile of α-丁基苯乙胺
Property Insights of α-丁基苯乙胺
The XLogP value of 3.4 indicates that α-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 26.0 Ų, α-丁基苯乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-丁基苯乙胺 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 α-丁基苯乙胺?
The CAS number of α-丁基苯乙胺 is 67309-36-8.
What is the molecular formula of α-丁基苯乙胺?
The molecular formula of α-丁基苯乙胺 is C12H19N.
What is the molecular weight of α-丁基苯乙胺?
The molecular weight of α-丁基苯乙胺 is 177.15 g/mol.
Where can I buy α-丁基苯乙胺?
You can request a quote for α-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 α-丁基苯乙胺?
Yes, KEHONG BIO provides custom synthesis services for α-丁基苯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.