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Molecule
2-[N-Methyl-N-(2-Pyridyl)Amino]Ethanol
CAS: 122321-04-4 · C8H12N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 122321-04-4
- Molecular Formula
- C8H12N2O
- Molecular Mass
- 152.20 g/mol
Identifiers
CAS Registry Number
122321-04-4
SMILES
CN(CCO)c1ccccn1
InChI Key
MWGKOPUDDQZERY-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3
Names and Synonyms
- 2-[N-Methyl-N-(2-Pyridyl)Amino]Ethanol Synonym
- Ethanol, 2-(methyl-2-pyridinylamino)- Synonym
- 2-(Methyl-2-pyridinylamino)ethanol Synonym
- 2-(Methyl-2-pyridylamino)ethanol Synonym
- 2-[N-Methyl-N-(2-pyridyl)amino]ethanol Synonym
- 2-[Methyl(2-pyridinyl)amino]ethanol Synonym
- 2-[N-Methyl-N-(pyridin-2-yl)amino]ethanol Synonym
- 2-[Methyl(pyridin-2-yl)amino]ethan-1-ol Synonym
- 2-[N-(2-Hydroxyethyl)-N-methylamino]pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.20 g/mol | CAS Common Chemistry |
| 152.19699999999997 g/mol | RDKit | |
| 152.197 g/mol | RDKit | |
| 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 |
| 35.6 Ų | chempirical lib | |
| LogP | 0.5100999999999998 | RDKit |
| 0.5101 | RDKit | |
| Molar Refractivity | 44.59280000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.375 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 152.094963004 g/mol | RDKit |
| Boiling Point | 106-108 °C @ 0.9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
External Resources
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MW = 152.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N2O.
