2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexa(isopropoxy)-1,2,3,4,5,6-triazatriphosphorine
Basic information
- CAS
986-10-7- Standard SMILES
CC(C)OP1(OC(C)C)=NP(OC(C)C)(OC(C)C)=NP(OC(C)C)(OC(C)C)=N1- InChIKey
DNZJBFOSYOVVGV-UHFFFAOYSA-N- Molecular formula
- C18H42N3O6P3
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.22864706
Names & identifiers
- Preferred name
- 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexa(isopropoxy)-1,2,3,4,5,6-triazatriphosphorine
- IUPAC
- 2,2,4,4,6,6-hexa(propan-2-yloxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
- English name
- 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexa(isopropoxy)-1,2,3,4,5,6-triazatriphosphorine
- Molecular formula
- C18H42N3O6P3
- Molecular weight
- 489.46
Names & synonyms
986-10-72lambda5,4lambda5,6lambda5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(1-methylethoxy)-EINECS 213-576-5SCHEMBL31281472DTXSID50913171DNZJBFOSYOVVGV-UHFFFAOYSA-NHexakis(2-propyloxy)cyclotriphosphazen2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexa(isopropoxy)-1,2,3,4,5,6-triazatriphosphorineNS000425652,2,4,4,6,6-Hexakis[(propan-2-yl)oxy]-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine2,2,4,4,6,6-hexaisopropoxy-2λ5,4λ5,6λ5-cyclotriphosphazene2,2,4,4,6,6-Hexakis(isopropoxy)-1,3,5,2,4,6-triazatriphosphorine
Show more names
2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(1-methylethoxy)-
Database identifiers
- CAS
986-10-7- PubChem CID
- 70430
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -3.66 · -3.66±0.50(Predicted)
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