Basic information
- CAS
7511-28-6- Standard SMILES
CCC(C)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
DHVGSDZNVSZQDV-UHFFFAOYSA-N- Molecular formula
- C12H16N4O4
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.117155
Names & identifiers
- Preferred name
- N-(3-methylpentan-2-ylideneamino)-2,4-dinitroaniline
- IUPAC
- N-(3-methylpentan-2-ylideneamino)-2,4-dinitroaniline
Database identifiers
- CAS
7511-28-6- PubChem CID
- 347355
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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