N,N,2,3,5,6-Hexamethyl-4-nitroaniline
TL;DR: N,N,2,3,5,6-Hexamethyl-4-nitroaniline (CAS 100316-95-8) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,2,3,5,6-hexamethyl-4-nitroaniline
Also Known As: N,N,2,3,5,6-hexamethyl-4-nitroaniline, N,N,2,3,5,6-hexamethyl-4-nitro-aniline, benzenamine, N,N,2,3,5,6-hexamethyl-4-nitro-, AE-562/43459076, 634-514-7
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.89448 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 421.81735 |
Chemical Identifiers
| CAS Number | 100316-95-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1N(C)C)C)C)[N+](=O)[O-])C |
Product Overview
N,N,2,3,5,6-Hexamethyl-4-nitroaniline (CAS 100316-95-8), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: N,N,2,3,5,6-hexamethyl-4-nitroaniline.
Chemical Property Profile of N,N,2,3,5,6-Hexamethyl-4-nitroaniline
Property Insights of N,N,2,3,5,6-Hexamethyl-4-nitroaniline
The XLogP value of 2.89448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,2,3,5,6-Hexamethyl-4-nitroaniline. With a topological polar surface area (TPSA) of 46.38 Ų, N,N,2,3,5,6-Hexamethyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,2,3,5,6-Hexamethyl-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,2,3,5,6-Hexamethyl-4-nitroaniline?
The CAS number of N,N,2,3,5,6-Hexamethyl-4-nitroaniline is 100316-95-8.
What is the molecular formula of N,N,2,3,5,6-Hexamethyl-4-nitroaniline?
The molecular formula of N,N,2,3,5,6-Hexamethyl-4-nitroaniline is C12H18N2O2.
What is the molecular weight of N,N,2,3,5,6-Hexamethyl-4-nitroaniline?
The molecular weight of N,N,2,3,5,6-Hexamethyl-4-nitroaniline is 222.14 g/mol.
Where can I buy N,N,2,3,5,6-Hexamethyl-4-nitroaniline?
You can request a quote for N,N,2,3,5,6-Hexamethyl-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,2,3,5,6-Hexamethyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N,2,3,5,6-Hexamethyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.