3-Bromo-4-isopropylaniline
TL;DR: 3-Bromo-4-isopropylaniline (CAS 112299-61-3) is a chemical compound with molecular formula C9H12BrN and molecular weight 213.0153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-4-propan-2-ylaniline
Also Known As: 3-Bromo-4-isopropylaniline, 3-bromo-4-propan-2-ylaniline, 3-Bromo-4-isopropylbenzenamine, 3-bromo-4-(propan-2-yl)aniline, F96398
Technical Specifications
| Molecular Formula | C9H12BrN |
| Molecular Weight | 213.0153 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.0153 Da |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
| SMILES | CC(C)C1=C(C=C(C=C1)N)Br |
| InChIKey | ZDWAJOHLJMQPPU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-4-isopropylaniline
Property Insights of 3-Bromo-4-isopropylaniline
The XLogP value of 3.1 indicates that 3-Bromo-4-isopropylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Bromo-4-isopropylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-isopropylaniline 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 3-Bromo-4-isopropylaniline?
The CAS number of 3-Bromo-4-isopropylaniline is 112299-61-3.
What is the molecular formula of 3-Bromo-4-isopropylaniline?
The molecular formula of 3-Bromo-4-isopropylaniline is C9H12BrN.
What is the molecular weight of 3-Bromo-4-isopropylaniline?
The molecular weight of 3-Bromo-4-isopropylaniline is 213.0153 g/mol.
Where can I buy 3-Bromo-4-isopropylaniline?
You can request a quote for 3-Bromo-4-isopropylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-4-isopropylaniline?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-4-isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.