1,3-Bis[(oxiran-2-yl)methyl]-5-(prop-1-en-2-yl)-1,3,5-triazinane-2,4,6-trione
Basic information
- CAS
69731-45-9- Standard SMILES
C=C(C)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O- InChIKey
IFRRQUWBWWMPKZ-UHFFFAOYSA-N- Molecular formula
- C12H15N3O5
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.10117059
Names & identifiers
- Preferred name
- 1,3-Bis[(oxiran-2-yl)methyl]-5-(prop-1-en-2-yl)-1,3,5-triazinane-2,4,6-trione
- IUPAC
- 1,3-bis(oxiran-2-ylmethyl)-5-prop-1-en-2-yl-1,3,5-triazinane-2,4,6-trione
- English name
- 1,3-bis(oxiranylmethyl)-5-(2-propenyl)-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione
- Molecular formula
- C12H15N3O5
- Molecular weight
- 281.26
Names & synonyms
1,3-Bis[(oxiran-2-yl)methyl]-5-(prop-1-en-2-yl)-1,3,5-triazinane-2,4,6-trione1,3-bis(oxiran-2-ylmethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trioneSCHEMBL28589252DTXSID90699644IFRRQUWBWWMPKZ-UHFFFAOYSA-N1,3-bis(oxiran-2-ylmethyl)-5-prop-1-en-2-yl-1,3,5-triazinane-2,4,6-trioneMonoallyl diglycidyl isocyanurate1-Allyl-3,5-diglycidylisocyanurate MAD-GIC1,3-bis(oxiranylmethyl)-5-(2-propenyl)-1,3,5-Triaz1-allyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione1,3-bis(oxiranylmethyl)-5-(2-propenyl)-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-bis(oxiranylMethyl)-5-(2-propenyl)-
Show more names
1,3-Bis(ethylene oxide)-5-(2-propenyl)-1,3,5-triazine-2,4,6(1H, 3H, 5H)-trione1,3-Bis(oxiran-2-ylmethyl)-5-(prop-2-en-1-yl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-bis(2-oxiranylmethyl)-5-(2-propen-1-yl)-
Database identifiers
- CAS
69731-45-9- PubChem CID
- 53427801
- DTXSID
DTXSID90699644
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Melting point
- 48 · 48-49 °C
- Boiling point
- 450.7 · 450.7±20.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- pka
- -2.59 · -2.59±0.20(Predicted)
- InChI
- InChI=1S/C12H15N3O5/c1-2-3-13-10(16)14(4-8-6-19-8)12(18)15(11(13)17)5-9-7-20-9/h2,8-9H,1,3-7H2
- InChIKey
- NADYEWVQIJRXJM-UHFFFAOYSA-N
- SMILES
- N1(CC2CO2)C(=O)N(CC=C)C(=O)N(CC2CO2)C1=O
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H340-H302
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H317-H340-H302
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses1,3-bis(oxiranylmethyl)-5-(2-propenyl)-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione is used as OLED intermediate and monomers.
Upstream & downstream products
Upstream raw materials
Downstream products
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