2-N,2-N',4-N,4-N',6-N,6-N',8-N,8-N'-octabutyl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine
Basic information
- CAS
3960-18-7- Standard SMILES
CCCCNP1(NCCCC)=NP(NCCCC)(NCCCC)=NP(NCCCC)(NCCCC)=NP(NCCCC)(NCCCC)=N1- InChIKey
VUXWEFDMCHUGCK-UHFFFAOYSA-N- Molecular formula
- C32H80N12P4
- Average molar mass
- 757 g/mol
- Monoisotopic mass
- 756.55793708
Names & identifiers
- Preferred name
- 2-N,2-N',4-N,4-N',6-N,6-N',8-N,8-N'-octabutyl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine
- IUPAC
- 2-N,2-N',4-N,4-N',6-N,6-N',8-N,8-N'-octabutyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine
Names & synonyms
3960-18-7NSC58924DTXSID50960201NSC-589241,5,7,2,4,6,8-Tetraazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,2,4,4,6,6,8,8-octakis(butylamino)-N~2~,N~4~,N~6~,N~8~,N'~2~,N'~4~,N'~6~,N'~8~-Octabutyl-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine-2,2,4,4,6,6,8,8-octamine
Database identifiers
- CAS
3960-18-7- PubChem CID
- 246248
- DTXSID
DTXSID50960201- Nikkaji
- J2.067.618C
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 32
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 768
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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