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(R)-3-Quinuclidinol
CAS: 25333-42-0 | C7H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25333-42-0
Molecular Formula:
C7H13NO
Molecular Weight:
127.187 g/mol
Names and Synonyms:
(R)-3-Quinuclidinol
1-Azabicyclo[2.2.2]octan-3-ol, (3R)-
3-Quinuclidinol, (-)-
1-Azabicyclo[2.2.2]octan-3-ol, (R)-
(3R)-1-Azabicyclo[2.2.2]octan-3-ol
l-3-Quinuclidinol
(R)-(-)-3-Quinuclidinol
(R)-3-Quinuclidinol
(R)-1-Azabicyclo[2.2.2]octan-3-ol
(-)-3-Quinuclidinol
(3R)-Quinuclidin-3-ol
(3R)-3-Quinuclidinol
(R)-3-Hydroxyquinuclidine
(R)-3-Quinuclidol
(R)-(-)-1-Azabicyclo[2.2.2]octan-3-ol
R-Quinuclidin-3-ol
(-)-(R)-3-Quinuclidinol
(3R)-Quinuclidinol
(3R)-1-Azabicyclo[2.2.2]octan-3-ol
Identifiers:
SMILES:
O[C@H]1CN2CCC1CC2
InChI:
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 127.19 g/mol | Legacy Database |
| cas-canonical-smile | OC1CN2CCC1CC2 None | Legacy Database |
| cas-inchi | InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=IVLICPVPXWEGCA-ZETCQYMHSA-N None | Legacy Database |
| cas-name | (R)-3-Quinuclidinol None | Legacy Database |
| cas-melting-point | 219 °C None | Legacy Database |
| LogP | 0.07289999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 127.187 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 127.099714036 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.47 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.17079999999999 | RDKit |
