N-(4-bromobenzyl)butan-2-amine
TL;DR: N-(4-bromobenzyl)butan-2-amine (CAS 59513-66-5) is a chemical compound with molecular formula C11H16BrN and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromophenyl)methyl]butan-2-amine
Also Known As: N-(4-bromobenzyl)butan-2-amine, N-[(4-bromophenyl)methyl]butan-2-amine, (4-BROMOBENZYL)SEC-BUTYLAMINE, [(4-bromophenyl)methyl](butan-2-yl)amine, CHEMBRDG-BB 4022323
| Molecular Formula | C11H16BrN |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 3.3372 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.04662 |
| Heavy Atoms | 13 |
| Complexity | 242.77213 |
Chemical Identifiers
| CAS Number | 59513-66-5 |
|---|---|
| SMILES | CCC(C)NCC1=CC=C(C=C1)Br |
Product Overview
N-(4-bromobenzyl)butan-2-amine (CAS 59513-66-5), with molecular formula C11H16BrN and molecular weight 241.05 g/mol. IUPAC: N-[(4-bromophenyl)methyl]butan-2-amine.
Chemical Property Profile of N-(4-bromobenzyl)butan-2-amine
Property Insights of N-(4-bromobenzyl)butan-2-amine
The XLogP value of 3.3372 indicates that N-(4-bromobenzyl)butan-2-amine 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-(4-bromobenzyl)butan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromobenzyl)butan-2-amine 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-(4-bromobenzyl)butan-2-amine?
The CAS number of N-(4-bromobenzyl)butan-2-amine is 59513-66-5.
What is the molecular formula of N-(4-bromobenzyl)butan-2-amine?
The molecular formula of N-(4-bromobenzyl)butan-2-amine is C11H16BrN.
What is the molecular weight of N-(4-bromobenzyl)butan-2-amine?
The molecular weight of N-(4-bromobenzyl)butan-2-amine is 241.05 g/mol.
Where can I buy N-(4-bromobenzyl)butan-2-amine?
You can request a quote for N-(4-bromobenzyl)butan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromobenzyl)butan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromobenzyl)butan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.