Hexahydro-1,3,5-tris[3-(oxiranylmethoxy)-1-oxopropyl]-1,3,5-triazine
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Basic information
- CAS
13318-19-9- Standard SMILES
O=C(CCOCC1CO1)N1CN(C(=O)CCOCC2CO2)CN(C(=O)CCOCC2CO2)C1- InChIKey
HIILPLVHMVHXHX-UHFFFAOYSA-N- Molecular formula
- C21H33N3O9
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.22167964
Names & identifiers
- Preferred name
- Hexahydro-1,3,5-tris[3-(oxiranylmethoxy)-1-oxopropyl]-1,3,5-triazine
- IUPAC
- 1-[3,5-bis[3-(oxiran-2-ylmethoxy)propanoyl]-1,3,5-triazinan-1-yl]-3-(oxiran-2-ylmethoxy)propan-1-one
- English name
- hexahydro-1,3,5-tris[3-(oxiranylmethoxy)-1-oxopropyl]-1,3,5-triazine
- Molecular formula
- C21H33N3O9
- Molecular weight
- 471.5
Names & synonyms
13318-19-9HEXAHYDRO-1,3,5-TRIS[3-(OXIRANYLMETHOXY)-1-OXOPROPYL]-1,3,5-TRIAZINEHexahydro-1,3,5-tris(3-(oxiranylmethoxy)-1-oxopropyl)-1,3,5-triazineEINECS 236-351-3HIILPLVHMVHXHX-UHFFFAOYSA-N1-[3,5-bis[3-(oxiran-2-ylmethoxy)propanoyl]-1,3,5-triazinan-1-yl]-3-(oxiran-2-ylmethoxy)propan-1-oneSCHEMBL11349039DTXSID70927992NS000510741,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris{3-[(oxiran-2-yl)methoxy]propan-1-one}1,3,5-Triazine, hexahydro-1,3,5-tris[3-(oxiranylmethoxy)-1-oxopropyl]- (9CI)
Database identifiers
- CAS
13318-19-9- PubChem CID
- 114497
- DTXSID
DTXSID70927992- EC Number
- 236-351-3
- Nikkaji
- J213.837I
Properties
Computed structural propertiesFilling in
- XLogP
- -2.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 592
Physicochemical properties
- Boiling point
- 737.3 · 737.3±60.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- -0.78 · -0.78±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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