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1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-6-chloro-2,2,4,4,6-pentakis(1-aziridinyl)-

HCID 199156
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Basic information

CAS
3776-18-9
Standard SMILES
ClP1(N2CC2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1
InChIKey
ABVWHUJMQISFHH-UHFFFAOYSA-N
Molecular formula
C10H20ClN8P3
Average molar mass
380.69 g/mol
Monoisotopic mass
380.0712314

Names & identifiers

Preferred name
1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-6-chloro-2,2,4,4,6-pentakis(1-aziridinyl)-
IUPAC
2,2,4,4,6-pentakis(aziridin-1-yl)-6-chloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

Names & synonyms

BRN 6009411AI3-505691,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-6-chloro-2,2,4,4,6-pentakis(1-aziridinyl)-3776-18-9DTXSID00191205Hexahydro-6-chloro-2,2,4,4,6-pentakis(1-aziridinyl)-1,3,5,2,4,6-triazatriphosphorine1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentakis(1-aziridinyl)-6-chloro-2,2,4,4,6,6-hexahydro-RefChem:217106DTXCID701136962-Chloro-2,4,4,6,6-penta(1-aziridinyl)cyclotriphosphazene4,4-Bis(aziridin-1-yl)-2,2-bis(aziridin-1-yl)-6-(aziridin-1-yl)-6-chloro-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

Database identifiers

CAS
3776-18-9
PubChem CID
199156
DTXSID
DTXSID00191205

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
52.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
632

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Compound notes

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