N-Benzyl-3-bromoaniline
TL;DR: N-Benzyl-3-bromoaniline (CAS 213814-61-0) is a chemical compound with molecular formula C13H12BrN and molecular weight 261.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-bromoaniline
Also Known As: N-Benzyl-3-bromoaniline, N-benzyl-3-bromo-aniline, N-(3-bromophenyl)benzylamine, 3-bromo-N-(benzyl)aniline, Benzenemethanamine, N-(3-bromophenyl)-
| Molecular Formula | C13H12BrN |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 4.0612 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.01532 |
| Heavy Atoms | 15 |
| Complexity | 425.5609 |
Chemical Identifiers
| CAS Number | 213814-61-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC(=CC=C2)Br |
Product Overview
N-Benzyl-3-bromoaniline (CAS 213814-61-0), with molecular formula C13H12BrN and molecular weight 261.02 g/mol. IUPAC: N-benzyl-3-bromoaniline.
Chemical Property Profile of N-Benzyl-3-bromoaniline
Property Insights of N-Benzyl-3-bromoaniline
The XLogP value of 4.0612 indicates that N-Benzyl-3-bromoaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-Benzyl-3-bromoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-3-bromoaniline 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-Benzyl-3-bromoaniline?
The CAS number of N-Benzyl-3-bromoaniline is 213814-61-0.
What is the molecular formula of N-Benzyl-3-bromoaniline?
The molecular formula of N-Benzyl-3-bromoaniline is C13H12BrN.
What is the molecular weight of N-Benzyl-3-bromoaniline?
The molecular weight of N-Benzyl-3-bromoaniline is 261.02 g/mol.
Where can I buy N-Benzyl-3-bromoaniline?
You can request a quote for N-Benzyl-3-bromoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-3-bromoaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-3-bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.