(S)-quinuclidin-3-amine
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Basic information
- CAS
1329838-74-5- Standard SMILES
N[C@@H]1CN2CCC1CC2- InChIKey
REUAXQZIRFXQML-SSDOTTSWSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569846
Names & identifiers
- Preferred name
- (S)-quinuclidin-3-amine
- IUPAC
- (3S)-1-azabicyclo[2.2.2]octan-3-amine
- English name
- (3S)-AMinoquinuclidine-D1 Dihydrochloride
- Molecular formula
- C7H14N2
- Molecular weight
- 126.2
Names & synonyms
(S)-quinuclidin-3-amine120570-05-0(3S)-1-azabicyclo[2.2.2]octan-3-amine(3s)-aminoquinuclidine(S)-3-aminoquinuclidine1-Azabicyclo[2.2.2]octan-3-amine, (S)-MFCD08669631(S)-3-amino-1-azabicyclo[2.2.2]octane(3S)-Quinuclidin-3-amine1-Azabicyclo[2.2.2]octan-3-amine, (3S)-(S)-(-)-3-aminoquinuclidineSCHEMBL47241
Show more names
Palonosetron Impurity 38(S)-quinuclidin-3-d-3-amine(3S)-AMinoquinuclidine-D1 Dihydrochloride(3S)-1-Azabicyclo[2.2.2]octan-3-aMine-D1 Hydrochloride(3S)-3-AMino-1-azabicyclo[2.2.2]octane-D1 Dihydrochloride
SCHEMBL3364739SCHEMBL17203543REUAXQZIRFXQML-SSDOTTSWSA-NALBB-035144CS-B0281(S)-3-Aminoquinuclidine hydrochlorideAKOS006237379AKOS017344552
Database identifiers
- CAS
1329838-74-5- PubChem CID
- 719216
- Nikkaji
- J2.353.533E
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- solubility
- DMSO, Methanol, Water
- form
- Solid
- color
- Off-White
Chemistry & industry
Applications
UsesAn intermediate in the preparation of labelled Palonosetron.
Related reactions
19 records
Compound notes
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