Basic information
- CAS
6944-49-6- Standard SMILES
CC(C)(C)N[P@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(NC(C)(C)C)=NP(Cl)(Cl)=N1- InChIKey
UJKDWFLDZNKOKW-RQNOJGIXSA-N- Molecular formula
- C8H20Cl6N6P4
- Average molar mass
- 536.9 g/mol
- Monoisotopic mass
- 533.883109
Names & identifiers
- Preferred name
- N~2~,N~6~-Di-tert-butyl-2,4,4,6,8,8-hexachloro-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine-2,6-diamine
- IUPAC
- (2R,6S)-2-N,6-N-ditert-butyl-2,4,4,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,6-diamine
Names & synonyms
6944-49-6NSC58913DTXSID80289078NSC-58913N~2~,N~6~-Di-tert-butyl-2,4,4,6,8,8-hexachloro-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine-2,6-diamineN,N'-Di-tert-butyl-2,4,4,6,8,8-hexachloro-2I>>5,4I>>5,6I>>5,8I>>5-[1,3,5,7,2,4,6,8]tetrazatetraphosphocine-2,6-diamine
Database identifiers
- CAS
6944-49-6- PubChem CID
- 246237
- DTXSID
DTXSID80289078
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 619
Experimental & physicochemical properties
SpringerMaterials Properties31P nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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