Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-
TL;DR: Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- (CAS 117710-69-7) is a chemical compound with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4,6-dimethyl-3,5-dinitroaniline
Also Known As: para-Amino-dinitro-musk xylene, 2-tert-butyl-4,6-dimethyl-3,5-dinitroaniline, Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-, 4-Amino-5-tert-butyl-2,6-dinitro-m-xylene, 2,4-Dimethyl-3,5-dinitro-6-tert-butylaniline
| Molecular Formula | C12H17N3O4 |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.12192 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 117710-69-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C(C)(C)C)N |
| InChIKey | UXBYFHLORKKOAX-UHFFFAOYSA-N |
Product Overview
Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- (CAS 117710-69-7), with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol. IUPAC: 2-tert-butyl-4,6-dimethyl-3,5-dinitroaniline.
Chemical Property Profile of Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-
Property Insights of Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-
The XLogP value of 3.3 indicates that Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-. Following Lipinski's Rule of Five, Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- has 1 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 Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-?
The CAS number of Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- is 117710-69-7.
What is the molecular formula of Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-?
The molecular formula of Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- is C12H17N3O4.
What is the molecular weight of Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-?
The molecular weight of Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- is 267.12 g/mol.
Where can I buy Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-?
You can request a quote for Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.