Back to Search
3-Aminopyridine
CAS: 462-08-8 | C5H6N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
462-08-8
Molecular Formula:
C5H6N2
Molecular Mass:
94.12 g/mol
Names and Synonyms:
3-Aminopyridine
3-Pyridinamine
Pyridine, 3-amino-
3-Aminopyridine
β-Aminopyridine
3-Pyridylamine
m-Aminopyridine
3-Pyridinylamine
NSC 15040
Identifiers:
SMILES:
Nc1cccnc1
InChI:
InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
Key Properties
Boiling Point
252 °C
CAS Common Chemistry
Melting Point
64.5 °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 | 94.12 g/mol | CAS Common Chemistry |
| 94.117 g/mol | RDKit | |
| 94.053098192 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Aminopyridine | CAS Common Chemistry |
| Boiling Point | 252 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C(N)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CUYKNJBYIJFRCU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64.5 °C | CAS Common Chemistry |
| Name | 3-Aminopyridine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| LogP | 0.6638000000000001 | RDKit |
| Molar Refractivity | 28.6494 | RDKit |
