Basic information
- CAS
7498-91-1- Standard SMILES
CC(C#CC1=CCCCC1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
YWUOEQGTJNOVPT-UHFFFAOYSA-N- Molecular formula
- C16H16N4O4
- Average molar mass
- 328.32 g/mol
- Monoisotopic mass
- 328.117155
Names & identifiers
- Preferred name
- N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline
- IUPAC
- N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline
Names & synonyms
7498-91-1DTXSID809964771-[4-(CYCLOHEX-1-EN-1-YL)BUT-3-YN-2-YLIDENE]-2-(2,4-DINITROPHENYL)HYDRAZINE
Database identifiers
- CAS
7498-91-1- PubChem CID
- 348332
- DTXSID
DTXSID80996477
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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