N-sec-Butylaniline
TL;DR: N-sec-Butylaniline (CAS 6068-69-5) is a chemical compound with molecular formula C10H15N and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-ylaniline
Also Known As: N-sec-Butylaniline, N-butan-2-ylaniline, N-s-butylaniline, N-(sec-Butyl)aniline, Aniline, N-sec-butyl-
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 6068-69-5 |
|---|---|
| SMILES | CCC(C)NC1=CC=CC=C1 |
| InChIKey | LAMTXWQPHWUMLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-sec-Butylaniline (CAS 6068-69-5), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: N-butan-2-ylaniline.
Chemical Property Profile of N-sec-Butylaniline
Property Insights of N-sec-Butylaniline
The XLogP value of 3.2 indicates that N-sec-Butylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-sec-Butylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-sec-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
Frequently Asked Questions
What is the CAS number of N-sec-Butylaniline?
The CAS number of N-sec-Butylaniline is 6068-69-5.
What is the molecular formula of N-sec-Butylaniline?
The molecular formula of N-sec-Butylaniline is C10H15N.
What is the molecular weight of N-sec-Butylaniline?
The molecular weight of N-sec-Butylaniline is 149.12 g/mol.
Where can I buy N-sec-Butylaniline?
You can request a quote for N-sec-Butylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-sec-Butylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-sec-Butylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.