2,8,10,16,17,23-Hexaoxa-5,13,20-triaza-1,9-diborabicyclo(7.7.7)tricosane
Basic information
- CAS
97692-53-0- Standard SMILES
C1COB2OCCNCCOB(OCCN1)OCCNCCO2- InChIKey
WFNKMUAZGYABQK-UHFFFAOYSA-N- Molecular formula
- C12H27B2N3O6
- Average molar mass
- 331 g/mol
- Monoisotopic mass
- 331.2085959
Names & identifiers
- Preferred name
- 2,8,10,16,17,23-Hexaoxa-5,13,20-triaza-1,9-diborabicyclo(7.7.7)tricosane
- IUPAC
- 2,8,10,16,17,23-hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane
- English name
- 2,8,10,16,17,23-hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane
- Molecular formula
- C12H27B2N3O6
- Molecular weight
- 330.98
Names & synonyms
2,8,10,16,17,23-hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane97692-53-0EINECS 307-705-5DTXSID902431262,8,10,16,17,23-Hexaoxa-5,13,20-triaza-1,9-diborabicyclo(7.7.7)tricosaneRefChem:83562DTXCID90165617307-705-5WFNKMUAZGYABQK-UHFFFAOYSA-NNS00066597EINECS 307-705-5, CID113446, 2,8,10,16,17,23-Hexaoxa-5,13,20-triaza-1,9-diborabicyclo(7.7.7)tricosane, 97692-53-02,8,10,16,17,23-Hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane (9CI)
Database identifiers
- CAS
97692-53-0- PubChem CID
- 113446
- DTXSID
DTXSID90243126- EC Number
- 307-705-5
- Nikkaji
- J318.132D
Properties
Computed structural properties
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 375.3 · 375.3±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 8.75 · 8.75±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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