Acetophenone, O-((4-(3,4-methylenedioxybenzyl)-1-piperazino)carbonylmethyl)oxime
Completing data — refresh the page later to see the latest
Basic information
- CAS
38063-85-3- Standard SMILES
C/C(=N\OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1- InChIKey
KWDPSAPVOQDPLI-UHFFFAOYSA-N- Molecular formula
- C22H25N3O4
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.18450629
Names & identifiers
- Preferred name
- Acetophenone, O-((4-(3,4-methylenedioxybenzyl)-1-piperazino)carbonylmethyl)oxime
- IUPAC
- 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(E)-1-phenylethylideneamino]oxyethanone
- English name
- Acetophenone O-[[4-(3,4-methylenedioxybenzyl)piperazino]carbonylmethyl]oxime
- Molecular formula
- C22H25N3O4
- Molecular weight
- 395.45
Names & synonyms
38063-85-3ACETOPHENONE, O-((4-(3,4-METHYLENEDIOXYBENZYL)-1-PIPERAZINO)CARBONYLMETHYL)OXIMERefChem:1075987BRN 0862172(Piperonylpiperazino-carboxymethyl) oxyimino acetophenone [French](Piperonylpiperazino-carboxymethyl) oxyimino acetophenoneAcetophenone, O-((4-piperonyl-1-piperazino)carbonylmethyl)oximeAcetophenone O-[[4-(3,4-methylenedioxybenzyl)piperazino]carbonylmethyl]oxime
Database identifiers
- CAS
38063-85-3- PubChem CID
- 9570566
- Nikkaji
- J90.775H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Boiling point
- 555.155 · 555.155±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.257 · 1.257±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.15 · 6.150±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…