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2-Methoxy-3-Pyridinamine
CAS: 20265-38-7 | C6H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20265-38-7
Molecular Formula:
C6H8N2O
Molecular Weight:
124.14299999999999 g/mol
Names and Synonyms:
2-Methoxy-3-Pyridinamine
3-Pyridinamine, 2-methoxy-
Pyridine, 3-amino-2-methoxy-
2-Methoxy-3-pyridinamine
3-Amino-2-methoxypyridine
2-Methoxy-3-aminopyridine
(2-Methoxypyridin-3-yl)amine
Identifiers:
SMILES:
COc1ncccc1N
InChI:
InChI=1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 124.14299999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 124.063662876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 48.14 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6724 | RDKit |
| molecular_mass | 124.14 g/mol | Legacy Database |
| cas-boiling-point | 116-118 °C None | Legacy Database |
| cas-canonical-smile | N=1C=CC=C(N)C1OC None | Legacy Database |
| cas-inchi | InChI=1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YXFAOWYMDGUFIQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 69 °C None | Legacy Database |
| cas-name | 2-Methoxy-3-pyridinamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.2014 | RDKit |
