4-Butylaniline
TL;DR: 4-Butylaniline (CAS 104-13-2) is a chemical compound with molecular formula C10H15N and molecular weight 149.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butylaniline
Also Known As: 4-Butylaniline, 4-n-Butylaniline, 4-Butylbenzenamine, p-Butylaniline, Benzenamine, 4-butyl-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H15N |
| Molecular Weight | 149.12045 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 Da |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
| SMILES | CCCCC1=CC=C(C=C1)N |
| InChIKey | OGIQUQKNJJTLSZ-UHFFFAOYSA-N |
Product Description
Applications: 4-Butylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Butylaniline (CAS 104-13-2) is a heterocyclic building block with the molecular formula C10H15N and a molecular weight of 149.12 g/mol. Synonyms include 4-Butylaniline and 4-n-Butylaniline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Butylaniline
Property Insights of 4-Butylaniline
The XLogP value of 3.0 indicates that 4-Butylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Butylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butylaniline 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
What is the CAS number of 4-Butylaniline?
The CAS number of 4-Butylaniline is 104-13-2.
What is the molecular formula of 4-Butylaniline?
The molecular formula of 4-Butylaniline is C10H15N.
What is the molecular weight of 4-Butylaniline?
The molecular weight of 4-Butylaniline is 149.12045 g/mol.
What are the applications of 4-Butylaniline?
4-Butylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Butylaniline?
You can request a quote for 4-Butylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Butylaniline?
Yes, CoreyChem provides custom synthesis services for 4-Butylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.