Basic information
- CAS
18144-64-4- Standard SMILES
O=P(N1CCCCCC1)(N1CC1)N1CC1- InChIKey
ZCBLIQKVTTZLAH-UHFFFAOYSA-N- Molecular formula
- C10H20N3OP
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.13439927
Names & identifiers
- Preferred name
- 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine
- IUPAC
- 1-[bis(aziridin-1-yl)phosphoryl]azepane
- English name
- Bis(1-aziridinyl)(hexahydro-1H-azepin-1-yl)phosphine oxide
- Molecular formula
- C10H20N3OP
- Molecular weight
- 229.26
Names & synonyms
NSC-494242H5T4WQ5LX1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine1-[Bis(1-aziridinyl)phosphinyl]hexahydro-1H-azepineRefChem:105460718144-64-41-[bis(aziridin-1-yl)phosphoryl]azepaneENT-50716KC 36Diaziridinylhexamethyleneiminophosphine oxideHexahydroazepinylbis(aziridinyl)phosphine oxideBis(1-aziridinyl)(hexahydro-1H-azepin-1-yl)phosphine oxide
Show more names
1H-Azepine, 1-[bis(1-aziridinyl)phosphinyl]hexahydro-
Phosphine oxide, bis(1-aziridinyl)(hexahydroazepin-1-yl)-Phosphine oxide, diaziridinyl(hexahydro-1H-azepin-1-yl)-Phosphine oxide, bis(1-aziridinyl)(hexahydro-1H-azepin-1-yl)-Azepan-1-yldi(aziridin-1-yl)phosphine oxide1H-Azepine, (bis(1-aziridinyl)phosphinyl)hexahydro-1H-Azepine, [bis(1-aziridinyl)phosphinyl]hexahydro-PHS 38ENT 50716
Database identifiers
- CAS
18144-64-4- PubChem CID
- 96040
- DTXSID
DTXSID90171157- UNII
- 2H5T4WQ5LX
- Nikkaji
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 359.5 · 359.5±9.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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