Basic information
- CAS
18312-12-4- Standard SMILES
O=C(CI)N1CC2CCC(CC2)C1- InChIKey
UUCWZAUJRFXPCP-UHFFFAOYSA-N- Molecular formula
- C10H16INO
- Average molar mass
- 293.14 g/mol
- Monoisotopic mass
- 293.02766
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.2.2)nonane, 3-(iodoacetyl)-
- IUPAC
- 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-iodoethanone
- English name
- 3-(Iodoacetyl)-3-azabicyclo[3.2.2]nonane
- Molecular formula
- C10H16INO
- Molecular weight
- 293.14
Names & synonyms
18312-12-43-AZABICYCLO(3.2.2)NONANE, 3-(IODOACETYL)-Ketone, 3-azabicyclo(3.2.2)nonyl iodomethylN-(Iodoacetyl)-3-azabicyclo(3.2.2)nonaneDTXSID00171385RefChem:276767DTXCID70938761-(3-azabicyclo[3.2.2]nonan-3-yl)-2-iodoethanone3-(Iodoacetyl)-3-azabicyclo[3.2.2]nonane1-(3-Azabicyclo[3.2.2]nonan-3-yl)-2-iodoethan-1-oneEthanone, 1-(3-azabicyclo[3.2.2]non-3-yl)-2-iodo-
Database identifiers
- CAS
18312-12-4- PubChem CID
- 29026
- DTXSID
DTXSID00171385- Nikkaji
- J55.293C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 250.5 °C · 250.5°C (rough estimate)
- Density
- 1.4591 · 1.4591 (estimate)
- pka
- -0.35 · -0.35±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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