Basic information
- CAS
3996-04-1- Standard SMILES
CNP1(N2CC2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1- InChIKey
ABJJLHFLYXSYFL-UHFFFAOYSA-N- Molecular formula
- C11H24N9P3
- Average molar mass
- 375.29 g/mol
- Monoisotopic mass
- 375.1367528
Names & identifiers
- Preferred name
- 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-6-(methylamino)-2,2,4,4,6-pentakis(1-aziridinyl)-
- IUPAC
- 2,4,4,6,6-pentakis(aziridin-1-yl)-N-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine
Names & synonyms
DTXSID801930003996-04-11,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-6-(methylamino)-2,2,4,4,6-pentakis(1-aziridinyl)-RefChem:217105DTXCID50115491CHEMBL27942SCHEMBL218755902,2,4,4,6-Pentakis(aziridin1-yl)-6-methylaminocyclotriphosphazene6,6-Bis(aziridin-1-yl)-4,4-bis(aziridin-1-yl)-2-(aziridin-1-yl)-N-methyl-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-amine
Database identifiers
- CAS
3996-04-1- PubChem CID
- 199302
- DTXSID
DTXSID80193000- ChEMBL
CHEMBL27942
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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