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Also known as: 138874-55-2, [(3r)-1-azabicyclo[2.2.2]octan-3-yl]methanol, Schembl18268167, Zinc6658106, Ac4100, (1alpha,4alpha)-quinuclidine-3alpha-methanol
Molecular Formula
C8H15NO
Molecular Weight
141.21  g/mol
InChI Key
GUAWHSHTXVVCLZ-MRVPVSSYSA-N

CAS 138874-55-2
1 2D Structure

CAS 138874-55-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methanol
2.1.2 InChI
InChI=1S/C8H15NO/c10-6-8-5-9-3-1-7(8)2-4-9/h7-8,10H,1-6H2/t8-/m1/s1
2.1.3 InChI Key
GUAWHSHTXVVCLZ-MRVPVSSYSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)CO
2.1.5 Isomeric SMILES
C1CN2CCC1[C@H](C2)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 138874-55-2

2. [(3r)-1-azabicyclo[2.2.2]octan-3-yl]methanol

3. Schembl18268167

4. Zinc6658106

5. Ac4100

6. (1alpha,4alpha)-quinuclidine-3alpha-methanol

7. (3r)-3alpha-(hydroxymethyl)-1-azabicyclo[2.2.2]octane

2.3 Create Date
2006-07-30
3 Chemical and Physical Properties
Molecular Weight 141.21 g/mol
Molecular Formula C8H15NO
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass141.115364102 g/mol
Monoisotopic Mass141.115364102 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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