- InChI
- InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
- InChI Key
- CUYKNJBYIJFRCU-UHFFFAOYSA-N
- Formula
- C5H6N2
- SMILES
- Nc1cccnc1
- Molecular Weight1
- 94.11
- CAS
- 462-08-8
- Other Names
-
- .beta.-aminopyridine
- 3-pyridinamine
- 3-pyridylamine
- Amino-3 pyridine
- UN 2671
- m-Aminopyridine
- pyridine, 3-amino-
- «beta»-Aminopyridine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (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).
- ΔvapH° : Enthalpy of vaporization 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4313 | Relay (1.0) Calculated Property | |
| PAff | 954.40 | kJ/mol | NIST |
| BasG | 922.60 | kJ/mol | NIST |
| ΔcH°solid | -2885.20 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 224.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 144.20 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | 60.20 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | [80.70; 84.00] | kJ/mol |
|
| ΔsubH° | 80.70 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 84.00 ± 1.40 | kJ/mol | NIST |
| ΔsubH° | 84.00 | kJ/mol | NIST |
| ΔsubH° | 84.00 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 58.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.44; 9.03] | eV |
|
| IE | 8.70 ± 0.10 | eV | NIST |
| IE | 9.03 ± 0.05 | eV | NIST |
| IE | 9.00 | eV | NIST |
| IE | 8.44 | eV | NIST |
| log10WS | 0.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.664 | Crippen Calculated Property | |
| McVol | 77.510 | ml/mol | McGowan Calculated Property |
| Pc | 5429.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1105.00; 1105.00] |
|
|
| Inp | 1105.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Ip | [2111.00; 2156.00] |
|
|
| Ip | 2156.00 | NIST | |
| Ip | 2143.00 | NIST | |
| Ip | 2142.00 | NIST | |
| Ip | 2122.00 | NIST | |
| Ip | 2125.00 | NIST | |
| Ip | 2111.00 | NIST | |
| Tboil | [520.00; 525.20] | K |
|
| Tboil | 521.20 | K | NIST |
| Tboil | 525.20 | K | NIST |
| Tboil | 520.00 ± 1.00 | K | NIST |
| Tboil | 524.00 ± 1.00 | K | NIST |
| Tc | 759.40 | K | Relay (1.0) Calculated Property |
| Tfus | [335.90; 337.65] | K |
|
| Tfus | 337.65 | K | Effect of temperature on the solubility of 3-aminopyridine in binary ethanol + toluene solvent mixtures |
| Tfus | 337.65 | K | Solubility of 3-Aminopyridine in Acetone + n-Butyl Acetate from (288.15 to 323.15) K |
| Tfus | Outlier 335.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 337.00 | K | NIST |
| Tfus | 337.15 ± 1.50 | K | NIST |
| Tfus | 337.65 ± 0.20 | K | NIST |
| Vc | 0.261 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 14.40 | kJ/mol | 335.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Aminopyridine.
Mixtures
- Toluene + 3-Aminopyridine
- Ethanol + 3-Aminopyridine
- Toluene + Ethanol + 3-Aminopyridine
- Acetic acid, butyl ester + Acetone + 3-Aminopyridine
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Effect of temperature on the solubility of 3-aminopyridine in binary ethanol + toluene solvent mixtures
- Solubility of 3-Aminopyridine in Acetone + n-Butyl Acetate from (288.15 to 323.15) K
- McGowan Method
- NIST Webbook
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