Basic information
- CAS
40572-21-2- Standard SMILES
Cc1c(CC(C)(C)C)c([N+](=O)[O-])c(CC(C)(C)C)c([N+](=O)[O-])c1CC(C)(C)C- InChIKey
AAPDWIHTJOYECL-UHFFFAOYSA-N- Molecular formula
- C22H36N2O4
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.26750763
Names & identifiers
- Preferred name
- 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene
- IUPAC
- 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene
- English name
- 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene
- Molecular formula
- C22H36N2O4
- Molecular weight
- 392.53
Names & synonyms
1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene40572-21-2DTXSID20337865RefChem:217511DTXCID50288952AAPDWIHTJOYECL-UHFFFAOYSA-NBenzene, 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitro-1-Methyl-2,4,6-trineopentyl-3,5-dinitrobenzene #2-Methyl-1,3,5-trineopentyldinitrobenzol
Database identifiers
- CAS
40572-21-2- PubChem CID
- 545181
- DTXSID
DTXSID20337865- Nikkaji
- J140.870D
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Boiling point
- 460.8 · 460.8±40.0 °C(Predicted)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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