HuagongsheHuagongshe Chemistry Print Report · For research reference only
Aminopyrazine
PYRAZIN-2-AMINE · 2-AMINOPYRAZINE · PYRAZINAMINE · PYRAZIN-2-YLAMINE · APZ · NSC 13147 · ENT 60202 · PYRAZINEAMINE
Identifiers & Physical Properties
| CAS No. | 5049-61-6 |
|---|---|
| Molecular formula | C4H5N3 |
| Average molar mass | 95.1 g/mol |
| Monoisotopic mass | 95.04834716 g/mol |
| SMILES | Nc1cnccn1 |
| InChIKey | XFTQRUTUGRCSGO-UHFFFAOYSA-N |
| PubChem CID | 78747 |
| ChEMBL | CHEMBL1834089 |
| ChEBI | CHEBI:194609 |
| EC No. | 225-748-7 |
| DTXSID | DTXSID80198510 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 54.9 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (partition coefficient) | -0.07 |
| Boiling point | 218 °C @760 [mm Hg]167.6°C (rough estimate) |
| Melting point | 116 °C118-120 °C (lit.) |
| Vapor pressure | 0.19 [mm Hg] @25 °C |
| Density | 1.1031 (rough estimate) |
| Refractive index | 1.5200 (estimate) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | soluble in Methanol |
| Physical state | Crystalline Powder |
| pKa (acidity coefficient) | 3.22±0.10(Predicted) |
| Color | Slightly yellow to beige |
| BRN | 107025 |
| InChI | 1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7) |
| InChIKey | XFTQRUTUGRCSGO-UHFFFAOYSA-N |
| SMILES | Nc1cnccn1 |
| LogP (partition coefficient) | -0.070 |
| CAS DataBase Reference | 5049-61-6(CAS DataBase Reference) |
| FDA UNII | ES73FRK6MY |
| NIST Chemistry Reference | Aminopyrazine(5049-61-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi,F |
| Risk statements (R) | 36/37/38-11 |
| Safety statements (S) | 26-36-37/39 |
| Water hazard class (WGK) | 3 |
| Customs code | 29339990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Pyrazinamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Protective Action Criteria (PAC) | 0.076 [ppm]0.83 [ppm]5.0 [ppm] |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29339990 |
| Risk statements (R) | 36/37/38-11 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,F |
| Safety statements (S) | 26-36-37/39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
2-Aminopyrazine acts as a raw material in a four-component synthesis of imidazolidines. It is also used as an intermediate in synthetic chemistry. In addition, 2-aminopyrazine can be reacted with α-ketohydroximoyl chlorides to form 3-nitrosoimidazo[1,2-a]pyrazines.