Basic information
- CAS
20855-71-4- Standard SMILES
CCCN1CC(=O)NCC1=NO- InChIKey
LGDFNYKEGGOZPA-UHFFFAOYSA-N- Molecular formula
- C7H13N3O2
- Average molar mass
- 171.2 g/mol
- Monoisotopic mass
- 171.10077667
Names & identifiers
- Preferred name
- 5-(Hydroxyimino)-4-propylpiperazin-2-one
- IUPAC
- 5-hydroxyimino-4-propylpiperazin-2-one
- English name
- 2,5-Piperazinedione,1-propyl-,2-oxime(8CI)
- Molecular formula
- C7H13N3O2
- Molecular weight
- 171.2
Names & synonyms
20855-71-45-(Hydroxyimino)-4-propylpiperazin-2-oneDTXSID407248591-PROPYLPIPERAZINE-2,5-DIONE 2-OXIME2,5-Piperazinedione, 1-propyl-, 2-oxime2,5-Piperazinedione,1-propyl-,2-oxime(8CI)
Database identifiers
- CAS
20855-71-4- PubChem CID
- 57371013
- DTXSID
DTXSID40724859
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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