2,4-dinitro-N-[(Z)-oct-3-yn-2-ylideneamino]aniline
Basic information
- CAS
1679-34-1- Standard SMILES
CCCCC#C/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
QQWZJYYNFKYSKE-PTNGSMBKSA-N- Molecular formula
- C14H16N4O4
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.117155
Names & identifiers
- Preferred name
- 2,4-dinitro-N-[(Z)-oct-3-yn-2-ylideneamino]aniline
- IUPAC
- 2,4-dinitro-N-[(Z)-oct-3-yn-2-ylideneamino]aniline
Names & synonyms
1679-34-1NSC172573NSC-172573
Database identifiers
- CAS
1679-34-1- PubChem CID
- 5874889
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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