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2-[N-Methyl-N-(2-Pyridyl)Amino]Ethanol
CAS: 122321-04-4 | C8H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122321-04-4
Molecular Formula:
C8H12N2O
Molecular Mass:
152.20 g/mol
Names and Synonyms:
2-[N-Methyl-N-(2-Pyridyl)Amino]Ethanol
Ethanol, 2-(methyl-2-pyridinylamino)-
2-(Methyl-2-pyridinylamino)ethanol
2-(Methyl-2-pyridylamino)ethanol
2-[N-Methyl-N-(2-pyridyl)amino]ethanol
2-[Methyl(2-pyridinyl)amino]ethanol
2-[N-Methyl-N-(pyridin-2-yl)amino]ethanol
2-[Methyl(pyridin-2-yl)amino]ethan-1-ol
2-[N-(2-Hydroxyethyl)-N-methylamino]pyridine
Identifiers:
SMILES:
CN(CCO)c1ccccn1
InChI:
InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3
Key Properties
Boiling Point
106-108 °C @ Press: 0.9 Torr
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 | 152.20 g/mol | CAS Common Chemistry |
| 152.19699999999997 g/mol | RDKit | |
| 152.094963004 g/mol | RDKit | |
| Boiling Point | 106-108 °C @ Press: 0.9 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN(C1=NC=CC=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MWGKOPUDDQZERY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[N-Methyl-N-(2-pyridyl)amino]ethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 36.36 Ų | RDKit |
| LogP | 0.5100999999999998 | RDKit |
| Molar Refractivity | 44.59280000000003 | RDKit |
