CAS 123536-15-2 (3R)-1-Azabicyclo(2.2.2)octan-3-amine (HCID 719215)

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Basic information

CAS: 123536-15-2
Standard SMILES: N[C@H]1CN2CCC1CC2
InChIKey: REUAXQZIRFXQML-ZETCQYMHSA-N
Molecular formula: C7H14N2
Average molar mass: 126.2 g/mol

Names & identifiers

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

Names & synonyms

123536-15-2(3R)-1-azabicyclo[2.2.2]octan-3-amine(3R)-1-Azabicyclo(2.2.2)octan-3-amineRefChem:400750846-703-3(R)-quinuclidin-3-amine1-Azabicyclo[2.2.2]octan-3-amine, (3R)-MFCD08669630(R)-3-aminoquinuclidine(3R)-quinuclidin-3-amine1-Azabicyclo[2.2.2]octan-3-amine, (R)-CHEMBL1256003

Show more names

(R)-Quinuclidin-3-amine - [Q91276]

(R)-1-Aza-bicyclo[2.2.2]oct-3-ylamine(R)-(+)-3-aminoquinuclidine3(R)-aminoquinuclidine(R)-quinuclidine-3-amineSCHEMBL427062SCHEMBL2442137REUAXQZIRFXQML-ZETCQYMHSA-REUAXQZIRFXQML-ZETCQYMHSA-N

Database identifiers

CAS: 123536-15-2
PubChem CID: 719215
ChEMBL: CHEMBL1256003
EC Number: 846-703-3
Nikkaji: J1.678.171A

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 105

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
optical activity: Consistent with structure
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.