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2-Quinolinemethanol
CAS: 1780-17-2 | C10H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1780-17-2
Molecular Formula:
C10H9NO
Molecular Mass:
159.19 g/mol
Names and Synonyms:
2-Quinolinemethanol
2-Quinolinemethanol
α-Quinaldinol
2-(Hydroxymethyl)quinoline
2-Quinolylmethanol
NSC 6506
Quinolin-2-ylmethanol
Identifiers:
SMILES:
OCc1ccc2ccccc2n1
InChI:
InChI=1S/C10H9NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6,12H,7H2
Key Properties
Boiling Point
205 °C @ Press: 15 Torr
CAS Common Chemistry
Melting Point
64 °C
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 | 159.19 g/mol | CAS Common Chemistry |
| 159.188 g/mol | RDKit | |
| 159.068413908 g/mol | RDKit | |
| Boiling Point | 205 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1=NC=2C=CC=CC2C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6,12H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HREHOXSRYOZKNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64 °C | CAS Common Chemistry |
| Name | 2-Quinolinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 1.7270999999999996 | RDKit |
| Molar Refractivity | 47.665800000000026 | RDKit |
