CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [DOD - USCHPPM] |
|---|---|
| Vapor Pressure | 0.00004 [mmHg] |
| Kovats Retention Index | 321.91 |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
COMPUTED DESCRIPTORS
| Molecular Weight | 197.15 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 197.04365571 g/mol |
| Monoisotopic Mass | 197.04365571 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 222 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-amino-2,6-dinitrotoluene is an amino-nitrotoluene that is 2,6-dinitrotoluene substituted at position 4 by an amino group. It has a role as an explosive, a fungal xenobiotic metabolite and a marine metabolite.