N-(1,1-Dimethylethyl)-4-nitrobenzenamine
TL;DR: N-(1,1-Dimethylethyl)-4-nitrobenzenamine (CAS 4138-38-9) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-nitroaniline
Also Known As: N-tert-butyl-4-nitroaniline, N- -4-nitrobenzenamine, N-t-butyl-p-nitroaniline, N-tert-Butyl-4-nitro-anilin, 4-nitro-N-tert-butyl-aniline
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 4138-38-9 |
|---|---|
| SMILES | CC(C)(C)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | UTMISJPMGAMQPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,1-Dimethylethyl)-4-nitrobenzenamine (CAS 4138-38-9), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: N-tert-butyl-4-nitroaniline.
Chemical Property Profile of N-(1,1-Dimethylethyl)-4-nitrobenzenamine
Property Insights of N-(1,1-Dimethylethyl)-4-nitrobenzenamine
The XLogP value of 3.0 indicates that N-(1,1-Dimethylethyl)-4-nitrobenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, N-(1,1-Dimethylethyl)-4-nitrobenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-Dimethylethyl)-4-nitrobenzenamine has 1 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-(1,1-Dimethylethyl)-4-nitrobenzenamine?
The CAS number of N-(1,1-Dimethylethyl)-4-nitrobenzenamine is 4138-38-9.
What is the molecular formula of N-(1,1-Dimethylethyl)-4-nitrobenzenamine?
The molecular formula of N-(1,1-Dimethylethyl)-4-nitrobenzenamine is C10H14N2O2.
What is the molecular weight of N-(1,1-Dimethylethyl)-4-nitrobenzenamine?
The molecular weight of N-(1,1-Dimethylethyl)-4-nitrobenzenamine is 194.11 g/mol.
Where can I buy N-(1,1-Dimethylethyl)-4-nitrobenzenamine?
You can request a quote for N-(1,1-Dimethylethyl)-4-nitrobenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-Dimethylethyl)-4-nitrobenzenamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-Dimethylethyl)-4-nitrobenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.