1-(2-methyl-4-nitro-1H-imidazol-5-yl)piperazine
Basic information
- CAS
919741-77-8- Standard SMILES
Cc1nc(N2CCNCC2)c([N+](=O)[O-])[nH]1- InChIKey
XSNZSKAAABDXFA-UHFFFAOYSA-N- Molecular formula
- C8H13N5O2
- Average molar mass
- 211.22 g/mol
Names & identifiers
- Preferred name
- 1-(2-methyl-4-nitro-1H-imidazol-5-yl)piperazine
- IUPAC
- 1-(2-methyl-5-nitro-1H-imidazol-4-yl)piperazine
- English name
- 1-(2-Methyl-5-nitro-1H-imidazol-4-yl)-piperazine
- Molecular formula
- C8H13N5O2
- Molecular weight
- 211.22
Names & synonyms
1-(2-methyl-4-nitro-1H-imidazol-5-yl)piperazine1033850-69-91-(2-methyl-5-nitro-1H-imidazol-4-yl)piperazineSTK627934AKOS005562024AKOS0163625411-(2-Methyl-5-nitro-1H-imidazol-4-yl)-piperazinePiperazine, 1-(2-methyl-5-nitro-1H-imidazol-4-yl)-
Database identifiers
- CAS
919741-77-8
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 515.8 · 515.8±45.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…