1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,4-bis(1-aziridinyl)-2,4,6,6-tetrakis(methylamino)-, trans-
Basic information
- CAS
89631-66-3- Standard SMILES
CNP1(NC)=N[P@@](NC)(N2CC2)=N[P@](NC)(N2CC2)=N1- InChIKey
AWFLVMILNQNDCC-WOJBJXKFSA-N- Molecular formula
- C8H24N9P3
- Average molar mass
- 339.26 g/mol
- Monoisotopic mass
- 339.1367528
Names & identifiers
- Preferred name
- 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,4-bis(1-aziridinyl)-2,4,6,6-tetrakis(methylamino)-, trans-
- IUPAC
- (4R,6S)-4,6-bis(aziridin-1-yl)-2-N,2-N',4-N,6-N-tetramethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2,4,6-tetramine
- English name
- Brn 6489649
- Molecular formula
- C8H24N9P3
- Molecular weight
- 339.257743
Names & synonyms
89631-66-3BRN 64896491,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,4-bis(1-aziridinyl)-2,4,6,6-tetrakis(methylamino)-, trans-RefChem:217097TRANS-2,4-BIS(1-AZIRIDINYL)-2,2,4,4,6,6-HEXAHYDRO-2,4,6,6-TETRAKIS(METHYLAMINO)-1,3,5,2,4,6-TRIAZATRIPHOSPHORINECHEMBL28257SCHEMBL21875619DTXSID701344020Reaxys ID: 6489649
Database identifiers
- CAS
89631-66-3- PubChem CID
- 150248
- DTXSID
DTXSID701344020- ChEMBL
CHEMBL28257
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 510
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Related reactions
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Compound notes
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