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Molecule
4-Aminopyridine
CAS: 504-24-5 · C5H6N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 504-24-5
- Molecular Formula
- C5H6N2
- Molecular Mass
- 94.12 g/mol
Identifiers
CAS Registry Number
504-24-5
SMILES
N=c1cc[nH]cc1
InChI Key
NUKYPUAOHBNCPY-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
Names and Synonyms
- 4-Aminopyridine Synonym
- 4-Pyridinamine Synonym
- Pyridine, 4-amino- Synonym
- 4-Aminopyridine Synonym
- VMI 10-3 Synonym
- Phillips 1861 Synonym
- γ-Aminopyridine Synonym
- p-Aminopyridine Synonym
- 4-Pyridylamine Synonym
- Avitrol Synonym
- EL 970 Synonym
- Fampridine Synonym
- 4-Pyridinylamine Synonym
- 4AP Synonym
- NSC 15041 Synonym
- Neurelan Synonym
- Ampyra Synonym
- Dalfampridine Synonym
- Pymadin Synonym
- Fampyra Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 94.12 g/mol | CAS Common Chemistry |
| 94.11699999999998 g/mol | RDKit | |
| 94.117 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Aminopyridine | CAS Common Chemistry |
| Boiling Point | 273 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(N)=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=NUKYPUAOHBNCPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158.5 °C | CAS Common Chemistry |
| Name | 4-Aminopyridine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 0.4941700000000001 | RDKit |
| 0.4942 | RDKit | |
| Molar Refractivity | 26.647399999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 94.053098192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 94.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6N2.
