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2-(Methylamino)-3-Pyridinemethanol
CAS: 32399-12-5 | C7H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32399-12-5
Molecular Formula:
C7H10N2O
Molecular Weight:
138.17 g/mol
Names and Synonyms:
2-(Methylamino)-3-Pyridinemethanol
[2-(Methylamino)pyridin-3-yl]methanol
[2-(Methylamino)-3-pyridyl]methanol
2-(N-Methylamino)-3-hydroxymethylpyridine
2-(Methylamino)-3-pyridinemethanol
3-Pyridinemethanol, 2-(methylamino)-
Identifiers:
SMILES:
CNc1ncccc1CO
InChI:
InChI=1S/C7H10N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,10H,5H2,1H3,(H,8,9)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.17 g/mol | Legacy Database |
| cas-canonical-smile | OCC1=CC=CN=C1NC None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,10H,5H2,1H3,(H,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=VYPMWCUNCNMNOM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-(Methylamino)-3-pyridinemethanol None | Legacy Database |
| LogP | 0.6155999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.17 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.07931294 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 45.150000000000006 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.70650000000001 | RDKit |
