N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine
TL;DR: N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine (CAS 70076-04-9) is a chemical compound with molecular formula C8H9BrN2O2 and molecular weight 243.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N,N-dimethyl-3-nitroaniline
Also Known As: 4-bromo-N,N-dimethyl-3-nitroaniline, (4-bromo-3-nitrophenyl)dimethylamine, (4-bromo-3-nitro-phenyl)-dimethyl-amine, 4-bromo-3-nitro-N,N-dimethylaniline, N,N-Dimethyl-3-nitro-4-bromoaniline
| Molecular Formula | C8H9BrN2O2 |
|---|---|
| Molecular Weight | 243.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.98474 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 70076-04-9 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)Br)[N+](=O)[O-] |
| InChIKey | NMLRNMMRKWXQLD-UHFFFAOYSA-N |
Product Overview
N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine (CAS 70076-04-9), with molecular formula C8H9BrN2O2 and molecular weight 243.98 g/mol. IUPAC: 4-bromo-N,N-dimethyl-3-nitroaniline.
Chemical Property Profile of N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine
Property Insights of N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine. With a topological polar surface area (TPSA) of 49.1 Ų, N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine has 0 hydrogen bond donor(s) and 3 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-Bromo-3-nitrophenyl)-N,N-dimethylamine?
The CAS number of N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine is 70076-04-9.
What is the molecular formula of N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine?
The molecular formula of N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine is C8H9BrN2O2.
What is the molecular weight of N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine?
The molecular weight of N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine is 243.98 g/mol.
Where can I buy N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine?
You can request a quote for N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.