N,N,3-trimethyl-4-nitroaniline
TL;DR: N,N,3-trimethyl-4-nitroaniline (CAS 90556-89-1) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,3-trimethyl-4-nitroaniline
Also Known As: N,N,3-trimethyl-4-nitroaniline, Benzenamine, N,N,3-trimethyl-4-nitro-, 3,N,N-trimethyl-4-nitro-aniline, N,N-Dimethyl-3-methyl-4-nitroaniline, J1.673.220F
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.96922 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 334.38663 |
Chemical Identifiers
| CAS Number | 90556-89-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(C)C)[N+](=O)[O-] |
Product Overview
N,N,3-trimethyl-4-nitroaniline (CAS 90556-89-1), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N,N,3-trimethyl-4-nitroaniline.
Chemical Property Profile of N,N,3-trimethyl-4-nitroaniline
Property Insights of N,N,3-trimethyl-4-nitroaniline
The XLogP value of 1.96922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,3-trimethyl-4-nitroaniline. With a topological polar surface area (TPSA) of 46.38 Ų, N,N,3-trimethyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,3-trimethyl-4-nitroaniline 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,N,3-trimethyl-4-nitroaniline?
The CAS number of N,N,3-trimethyl-4-nitroaniline is 90556-89-1.
What is the molecular formula of N,N,3-trimethyl-4-nitroaniline?
The molecular formula of N,N,3-trimethyl-4-nitroaniline is C9H12N2O2.
What is the molecular weight of N,N,3-trimethyl-4-nitroaniline?
The molecular weight of N,N,3-trimethyl-4-nitroaniline is 180.09 g/mol.
Where can I buy N,N,3-trimethyl-4-nitroaniline?
You can request a quote for N,N,3-trimethyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,3-trimethyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N,3-trimethyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.