N-[(4-ethylphenyl)methylideneamino]-2,4-dinitroaniline
Basic information
- CAS
5637-29-6- Standard SMILES
CCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
MLBUSNCZEPVNPA-UHFFFAOYSA-N- Molecular formula
- C15H14N4O4
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.10150494
Names & identifiers
- Preferred name
- N-[(4-ethylphenyl)methylideneamino]-2,4-dinitroaniline
- IUPAC
- N-[(4-ethylphenyl)methylideneamino]-2,4-dinitroaniline
Names & synonyms
5637-29-6DTXSID209718041-(2,4-Dinitrophenyl)-2-[(4-ethylphenyl)methylidene]hydrazine
Database identifiers
- CAS
5637-29-6- PubChem CID
- 5227577
- DTXSID
DTXSID20971804
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
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Compound notes
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