6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(3-pyridinyl)-, dihydrochloride
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Basic information
- CAS
84509-40-0- Standard SMILES
Cl.Cl.c1cncc(C23CNCC(CO2)O3)c1- InChIKey
NGDIVVORNGXIJI-UHFFFAOYSA-N- Molecular formula
- C10H14Cl2N2O2
- Average molar mass
- 265.13 g/mol
- Monoisotopic mass
- 264.0432331
Names & identifiers
- Preferred name
- 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(3-pyridinyl)-, dihydrochloride
- IUPAC
- 5-pyridin-3-yl-6,8-dioxa-3-azabicyclo[3.2.1]octane;dihydrochloride
- English name
- 5-(3-Pyridinyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane dihydrochloride
- Molecular weight
- 0
Names & synonyms
84509-40-05-(3-Pyridinyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane dihydrochloride6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(3-pyridinyl)-, dihydrochlorideRefChem:306357DTXSID0010047925-(Pyridin-3-yl)-6,8-dioxa-3-azabicyclo[3.2.1]octane--hydrogen chloride (1/2)
Database identifiers
- CAS
84509-40-0- PubChem CID
- 3069313
- DTXSID
DTXSID001004792
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
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Compound notes
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