(1R,2S,4R,5S)-2,5-dimethyl-7-azabicyclo[2.2.1]heptane
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Basic information
- CAS
723240-05-9- Standard SMILES
C[C@H]1C[C@H]2N[C@@H]1C[C@@H]2C- InChIKey
GOKIXDSKOABORI-RULNZFCNSA-N- Molecular formula
- C8H15N
- Average molar mass
- 125.21 g/mol
- Monoisotopic mass
- 125.12044948
Names & identifiers
- Preferred name
- (1R,2S,4R,5S)-2,5-dimethyl-7-azabicyclo[2.2.1]heptane
- IUPAC
- (1R,2S,4R,5S)-2,5-dimethyl-7-azabicyclo[2.2.1]heptane
- English name
- 7-Azabicyclo[2.2.1]heptane,2,5-dimethyl-,(1R,2S,4R,5S)-rel-(9CI)
- Molecular formula
- C8H15N
- Molecular weight
- 125.21
Names & synonyms
AKOS0063544067-Azabicyclo[2.2.1]heptane,2,5-dimethyl-,(1R,2S,4R,5S)-rel-(9CI)
Database identifiers
- CAS
723240-05-9- PubChem CID
- 15396330
- Nikkaji
- J980.351C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 165.472 · 165.472±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.887 · 0.887±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.348 · 11.348±0.60(predicted)
Related reactions
0 records
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Compound notes
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