8-(5-Nitropyridin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
Basic information
- CAS
877790-46-0- Standard SMILES
O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCO3)nc1- InChIKey
NMLMJCKWDMDLTR-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.10625597
Names & identifiers
- Preferred name
- 8-(5-Nitropyridin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
- IUPAC
- 8-(5-nitro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
- English name
- 8-(5-Nitropyridin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
- Molecular formula
- C12H15N3O4
- Molecular weight
- 265.27
Names & synonyms
8-(5-nitropyridin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane877790-46-0SCHEMBL41753576DTXSID30402336MFCD05702090AKOS015833303DB-318363CS-02694048-(5-nitropyridin-2-yl)-1,4-dioxa-8-azaspiro[Z3543081288-(5-nitro-2-pyridyl)-1,4-dioxa-8-azaspiro[4.5]decane2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-5-nitropyridine
Show more names
1,4-Dioxa-8-azaspiro[4.5]decane, 8-(5-nitro-2-pyridinyl)-
Database identifiers
- CAS
877790-46-0- PubChem CID
- 4358558
- DTXSID
DTXSID30402336
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 149 · 149-150
- Boiling point
- 467.1 · 467.1±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 4.21 · 4.21±0.29(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…