1,4-Bis(2-oxiranylmethyl)piperazine
Basic information
- CAS
2917-98-8- Standard SMILES
C1OC1CN1CCN(CC2CO2)CC1- InChIKey
XNWUTCRFGMBUOP-UHFFFAOYSA-N- Molecular formula
- C10H18N2O2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.13682782
Names & identifiers
- Preferred name
- 1,4-Bis(2-oxiranylmethyl)piperazine
- IUPAC
- 1,4-bis(oxiran-2-ylmethyl)piperazine
- English name
- 1,4-bis(oxiran-2-ylmethyl)piperazine
- Molecular formula
- C10H18N2O2
- Molecular weight
- 198.26
Names & synonyms
2917-98-81,4-Bis(2-oxiranylmethyl)piperazineRefChem:1053204EpoxypiperazineDiepoxypiperazine1,4-bis(oxiran-2-ylmethyl)piperazineDiglycidyl piperazine1,4-Bis(2,3-epoxypropyl)piperazineNSC74437Diepoxy piperazinePiperazine, 1,4-bis(2-oxiranylmethyl)-1,4-Bis(oxiranylmethyl)piperazine
Show more names
N,N''-Bis(2,3-epoxypropyl)piperazine
USAF EL-26NSC 74437N,N'-Bis(2,3-epoxypropyl)piperazinePiperazine, 1,4-bis(oxiranylmethyl)-BRN 0081824Piperazine, 1,4-bis(2,3-epoxypropyl)-AI3-528311,4-bis[(oxiran-2-yl)methyl]piperazine
Database identifiers
- CAS
2917-98-8- PubChem CID
- 98074
- DTXSID
DTXSID00874127- ChEMBL
CHEMBL1993503- Nikkaji
- J1.582.321F
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
LogP-0.84
Physicochemical properties
- Melting point
- 42 · 42-43 °C
- Boiling point
- 100 · 100-110 °C(Press: 0.1 Torr)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 7.36 · 7.36±0.10(Predicted)
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Compound notes
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