(S)-quinuclidin-3-amine

HCID 178865937CAS 120570-05-0
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Basic information

Standard SMILES
N[C@@H]1CN2CCC1CC2
InChIKey
REUAXQZIRFXQML-SSDOTTSWSA-N
Molecular formula
C7H14N2
Average molar mass
126.2 g/mol

Names & identifiers

Preferred name
(S)-quinuclidin-3-amine
IUPAC
(3S)-1-azabicyclo[2.2.2]octan-3-amine
English name
(S)-quinuclidin-3-aMine
Molecular formula
C7H14N2
Molecular weight
126.2

Names & synonyms

(S)-quinuclidin-3-amine120570-05-0(3S)-1-azabicyclo[2.2.2]octan-3-amine(S)-1-Aza-bicyclo[2.2.2]oct-3-ylamine(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-aminoquinuclidine
Show more names
Palonosetron Impurity 34Palonosetron Impurity 36
SCHEMBL47241SCHEMBL3364739SCHEMBL17203543REUAXQZIRFXQML-SSDOTTSWSA-NALBB-035144CS-B0281(S)-3-Aminoquinuclidine hydrochlorideAKOS006237379

Database identifiers

CAS
120570-05-0
Nikkaji
J2.353.533E

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Boiling point
165.9 · 165.9±8.0 °C(Predicted)
Density
1.06 · 1.06±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
10.58 · 10.58±0.33(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
5 · GHS05

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H314
Precautionary statements
P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

Uses(3S)-Aminoquinuclidine is an intermediate used in the synthesis of Palonosetron-3-ene Hydrochloride (P165825), which is an impurity of Palonosetron (P165800), a serotonin 5-HT3 receptor antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). Antiemetic.

Upstream & downstream products

Suppliers41 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

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