2,8,9-Trioxa-5-aza-1-phosphabicyclo[3.3.3]undecane
Basic information
- CAS
36712-66-0- Standard SMILES
C1CN2CCOP(O1)OCC2- InChIKey
QSDFZCYKFAWVRJ-UHFFFAOYSA-N- Molecular formula
- C6H12NO3P
- Average molar mass
- 177.14 g/mol
- Monoisotopic mass
- 177.05548024
Names & identifiers
- Preferred name
- 2,8,9-Trioxa-5-aza-1-phosphabicyclo[3.3.3]undecane
- IUPAC
- 2,8,9-trioxa-5-aza-1-phosphabicyclo[3.3.3]undecane
Names & synonyms
2,8,9-trioxa-5-aza-1-phosphabicyclo[3.3.3]undecane36712-66-0DTXSID90275447
Database identifiers
- CAS
36712-66-0- PubChem CID
- 42741
- DTXSID
DTXSID90275447- Nikkaji
- J1.860.937A
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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