N,4-Dinitrosomethylaniline
TL;DR: N,4-Dinitrosomethylaniline (CAS 99-80-9) is a chemical compound with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-(4-nitrosophenyl)nitrous amide
Also Known As: Elastopar, Elastopax, Nitrozan K, N-METHYL-N,4-DINITROSOANILINE, Heat PRE
| Molecular Formula | C7H7N3O2 |
|---|---|
| Molecular Weight | 165.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.05383 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 99-80-9 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)N=O)N=O |
| InChIKey | FMGUJLASXUBMOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,4-Dinitrosomethylaniline (CAS 99-80-9), with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol. IUPAC: N-methyl-N-(4-nitrosophenyl)nitrous amide.
Chemical Property Profile of N,4-Dinitrosomethylaniline
Property Insights of N,4-Dinitrosomethylaniline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,4-Dinitrosomethylaniline. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N,4-Dinitrosomethylaniline. Following Lipinski's Rule of Five, N,4-Dinitrosomethylaniline has 0 hydrogen bond donor(s) and 5 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-Dinitrosomethylaniline?
The CAS number of N,4-Dinitrosomethylaniline is 99-80-9.
What is the molecular formula of N,4-Dinitrosomethylaniline?
The molecular formula of N,4-Dinitrosomethylaniline is C7H7N3O2.
What is the molecular weight of N,4-Dinitrosomethylaniline?
The molecular weight of N,4-Dinitrosomethylaniline is 165.05 g/mol.
Where can I buy N,4-Dinitrosomethylaniline?
You can request a quote for N,4-Dinitrosomethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,4-Dinitrosomethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N,4-Dinitrosomethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.