o-Butyl-aniline
TL;DR: o-Butyl-aniline (CAS 2696-85-7) 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.
2-butylaniline
Also Known As: 2-Butylaniline, o-Butyl-aniline, 2-N-butylaniline, Benzenamine, 2-butyl-, o-aminobutylbenzene
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 2696-85-7 |
|---|---|
| SMILES | CCCCC1=CC=CC=C1N |
| InChIKey | HDVUPIFFKAHPJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Butyl-aniline (CAS 2696-85-7), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: 2-butylaniline.
Chemical Property Profile of o-Butyl-aniline
Property Insights of o-Butyl-aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Butyl-aniline. With a topological polar surface area (TPSA) of 26.0 Ų, o-Butyl-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Butyl-aniline 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 o-Butyl-aniline?
The CAS number of o-Butyl-aniline is 2696-85-7.
What is the molecular formula of o-Butyl-aniline?
The molecular formula of o-Butyl-aniline is C10H15N.
What is the molecular weight of o-Butyl-aniline?
The molecular weight of o-Butyl-aniline is 149.12 g/mol.
Where can I buy o-Butyl-aniline?
You can request a quote for o-Butyl-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Butyl-aniline?
Yes, KEHONG BIO provides custom synthesis services for o-Butyl-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.