1,1'-Piperazine-1,4-diylbis(3-iodopropan-1-one)
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Basic information
- CAS
41373-82-4- Standard SMILES
O=C(CCI)N1CCN(C(=O)CCI)CC1- InChIKey
DLRYCRSSSGQWBP-UHFFFAOYSA-N- Molecular formula
- C10H16I2N2O2
- Average molar mass
- 450.06 g/mol
- Monoisotopic mass
- 449.93012
Names & identifiers
- Preferred name
- 1,1'-Piperazine-1,4-diylbis(3-iodopropan-1-one)
- IUPAC
- 3-iodo-1-[4-(3-iodopropanoyl)piperazin-1-yl]propan-1-one
- English name
- 3-iodo-1-[4-(3-iodopropanoyl)piperazin-1-yl]propan-1-one
- Molecular formula
- C10H16I2N2O2
- Molecular weight
- 450.06
Names & synonyms
41373-82-43-iodo-1-[4-(3-iodopropanoyl)piperazin-1-yl]propan-1-one1,1'-piperazine-1,4-diylbis(3-iodopropan-1-one)NSC47773DTXSID00286802NSC-477731,1'-(Piperazine-1,4-diyl)bis(3-iodopropan-1-one)Piperazine, 1,4-bis(3-iodo-1-oxopropyl)- (9CI)
Database identifiers
- CAS
41373-82-4- PubChem CID
- 240885
- DTXSID
DTXSID00286802
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 514 · 514.0±50.0 °C(Predicted)
- Density
- 2.029 · 2.029±0.06 g/cm3(Predicted)
- pka
- -0.45 · -0.45±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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