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5-Ethyl-2-Pyridineethanol
CAS: 5223-06-3 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5223-06-3
Molecular Formula:
C9H13NO
Molecular Weight:
151.20899999999997 g/mol
Names and Synonyms:
5-Ethyl-2-Pyridineethanol
2-(5-Ethyl-2-pyridinyl)ethanol
2-(5-Ethylpyridin-2-yl)ethan-1-ol
5-Ethyl-2-(2-hydroxyethyl)pyridine
2-(5-Ethylpyridin-2-yl)ethanol
2-(5-Ethyl-2-pyridyl)ethanol
5-Ethyl-2-(β-hydroxyethyl)pyridine
5-Ethyl-2-pyridineethanol
2-Pyridineethanol, 5-ethyl-
Identifiers:
SMILES:
CCc1ccc(CCO)nc1
InChI:
InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.21 g/mol | Legacy Database |
| density | 0.04 g/cm³ | Legacy Database | |
| cas-inchi | InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3 | Legacy Database | |
| cas-boiling-point | 125 °C @ Press: 3 Torr | Legacy Database | |
| cas-canonical-smile | OCCC1=NC=C(C=C1)CC | Legacy Database | |
| cas-density | 0.042 g/cm3 @ Temp: 42 °C | Legacy Database | |
| cas-inchi-key | InChIKey=OUJMXIPHUCDRAS-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 5-Ethyl-2-pyridineethanol | Legacy Database | |
| LogP | 1.1787999999999998 | RDKit | |
| Molecular | Molecular Weight | 151.20899999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.099714036 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| Molar | Molar Refractivity | 44.40480000000002 | RDKit |
