- InChI
- InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
- InChI Key
- NUKYPUAOHBNCPY-UHFFFAOYSA-N
- Formula
- C5H6N2
- SMILES
- Nc1ccncc1
- Molecular Weight1
- 94.11
- CAS
- 504-24-5
- Other Names
-
- Fampridine
- 4-Pyridinamine
- Pyridine, 4-amino-
- «gamma»-Aminopyridine
- p-Aminopyridine
- Phillips 1861
- VMI 10-3
- 4-Pyridylamine
- Amino-4 pyridine
- Avitrol
- Avitrol 200
- Compound 1861
- Pimadin (free base)
- Prc 1237
- 4-AP
- Rcra waste number P008
- NSC 15041
- Frampridine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 979.70 | kJ/mol | NIST |
| BasG | 947.80 | kJ/mol | NIST |
| ΔcH°solid | -2866.80 ± 0.50 | kJ/mol | NIST |
| ΔfH°gas | 129.90 ± 1.40 | kJ/mol | NIST |
| ΔfH°solid | 41.80 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | [87.10; 88.10] | kJ/mol |
|
| ΔsubH° | 87.10 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 88.10 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 88.10 | kJ/mol | NIST |
| ΔsubH° | 88.10 ± 1.10 | kJ/mol | NIST |
| IE | [8.40; 9.27] | eV |
|
| IE | 8.80 ± 0.10 | eV | NIST |
| IE | 9.27 ± 0.05 | eV | NIST |
| IE | 8.40 | eV | NIST |
| IE | 8.97 ± 0.05 | eV | NIST |
| IE | 8.77 | eV | NIST |
| IE | 8.76 | eV | NIST |
| log10WS | -0.87 | Crippen Calculated Property | |
| logPoct/wat | 0.664 | Crippen Calculated Property | |
| McVol | 77.510 | ml/mol | McGowan Calculated Property |
| Inp | [1158.00; 1170.00] |
|
|
| Inp | 1170.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| I | [2278.00; 2325.00] |
|
|
| I | 2278.00 | NIST | |
| I | 2325.00 | NIST | |
| I | 2324.00 | NIST | |
| I | 2298.00 | NIST | |
| I | 2300.00 | NIST | |
| I | 2287.00 | NIST | |
| I | 2287.00 | NIST | |
| I | 2278.00 | NIST | |
| Tboil | 546.20 | K | NIST |
| Tfus | [431.00; 432.65] | K |
|
| Tfus | 431.98 ± 0.20 | K | NIST |
| Tfus | 431.00 | K | NIST |
| Tfus | 432.15 ± 0.50 | K | NIST |
| Tfus | 432.65 ± 1.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [20.07; 20.07] | kJ/mol | [429.90; 429.90] |
|
| ΔfusH | 20.07 | kJ/mol | 429.90 | NIST |
| ΔfusH | 20.07 | kJ/mol | 429.90 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 453.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 4-Aminopyridine.
Sources
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