Basic information
- CAS
54093-05-9- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C=NN1CCN(N=Cc2ncc([N+](=O)[O-])n2C)CC1- InChIKey
VAQAPFZZUCFMRC-UHFFFAOYSA-N- Molecular formula
- C14H18N10O4
- Average molar mass
- 390.36 g/mol
- Monoisotopic mass
- 390.15124909
Names & identifiers
- Preferred name
- 1,4-Bis[(1-methyl-5-nitro-1H-imidazol-2-yl)methyleneamino]piperazine
- IUPAC
- 1-(1-methyl-5-nitroimidazol-2-yl)-N-[4-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]piperazin-1-yl]methanimine
Names & synonyms
1,4-Bis[(1-methyl-5-nitro-1H-imidazol-2-yl)methyleneamino]piperazineNSC-303591R4CXY7CQ8JDTXSID00968959DB-3011081,4-Bis-[1-methyl-5-nitroimidazolyl-(2-methyleneimino)]-piperazine1,4-Piperazinediamine, N,N'-bis[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-1,4-Piperazinediamine, N1,N4-bis[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-N,N'-(Piperazine-1,4-diyl)bis[1-(1-methyl-5-nitro-1H-imidazol-2-yl)methanimine]N1,N4-Bis[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-1,4-piperazinediamine
Database identifiers
- CAS
54093-05-9- PubChem CID
- 100461
- DTXSID
DTXSID00968959- UNII
- R4CXY7CQ8J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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