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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 Mass:
151.21 g/mol
Names and Synonyms:
5-Ethyl-2-Pyridineethanol
2-Pyridineethanol, 5-ethyl-
5-Ethyl-2-pyridineethanol
5-Ethyl-2-(β-hydroxyethyl)pyridine
2-(5-Ethyl-2-pyridinyl)ethanol
2-(5-Ethyl-2-pyridyl)ethanol
2-(5-Ethylpyridin-2-yl)ethanol
5-Ethyl-2-(2-hydroxyethyl)pyridine
2-(5-Ethylpyridin-2-yl)ethan-1-ol
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
Key Properties
Boiling Point
125 °C @ Press: 3 Torr
CAS Common Chemistry
Density
0.04 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.099714036 g/mol | RDKit | |
| Density | 0.04 g/cm³ | CAS Common Chemistry |
| 0.042 g/cm3 @ Temp: 42 °C | CAS Common Chemistry | |
| InChI | InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3 | CAS Common Chemistry |
| Boiling Point | 125 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCC1=NC=C(C=C1)CC | CAS Common Chemistry |
| InChI Key | InChIKey=OUJMXIPHUCDRAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Ethyl-2-pyridineethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 1.1787999999999998 | RDKit |
| Molar Refractivity | 44.40480000000002 | RDKit |
