2-Aminopyrazin

Aminopyrazine

HCID 78747

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Grundinformationen

CAS: 5049-61-6
Standard-SMILES: Nc1cnccn1
InChIKey: XFTQRUTUGRCSGO-UHFFFAOYSA-N
Summenformel: C4H5N3
Durchschnittliche Molmasse: 95,1 g/mol
Monoisotopische Masse: 95,04834716

Überblick

Aminopyrazine is a member of pyrazines.

Namen und Bezeichner

Bevorzugter Name: Aminopyrazine
IUPAC: pyrazin-2-amine
Lokaler Name: 2-Aminopyrazin
Englischer Name: Aminopyrazine
Summenformel: C4H5N3
Molmasse: 95.1

Namen und Synonyme

2-Aminopyrazine5049-61-6AminopyrazinePyrazinamineES73FRK6MYDTXSID80198510NSC-13147RefChem:465193DTXCID40121001225-748-7pyrazin-2-amine2-Pyrazinamine

Weitere Namen anzeigen

APZNSC 13147ENT 60202

pyrazin-2-ylaminePyrazine, 2-amino-MFCD00006137pyrazineamineAMINO PYRAZINEEINECS 225-748-7CHEMBL1834089CL4536

Datenbank-Bezeichner

CAS: 5049-61-6
PubChem CID: 78747
DTXSID: DTXSID80198510
ChEMBL: CHEMBL1834089
ChEBI: CHEBI:194609
UNII: ES73FRK6MY
EC Number: 225-748-7
Nikkaji: J80.944F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 54,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP-0.07

Boiling Point218 °C @760 [mm Hg]

Melting Point116 °C

Vapor Pressure0.19 [mm Hg] @25 °C

Physikochemische Eigenschaften

Schmelzpunkt: 118 · 118-120 °C (lit.)
Siedepunkt: 167.6 °C · 167.6°C (rough estimate)
Dichte: 1.1031 · 1.1031 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Methanol
pka: 3.22 · 3.22±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Slightly yellow to beige
Wasserlöslichkeit: soluble
BRN: 107025 · 107025
InChI: 1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)
InChIKey: XFTQRUTUGRCSGO-UHFFFAOYSA-N
SMILES: Nc1cnccn1
LogP: -0.07 · -0.070
CAS Datenbank: 5049 · 5049-61-6(CAS DataBase Reference)
NIST chemische Informationen: Aminopyrazine(5049-61-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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.

Gefahrenhinweise

Regulatory InformationPyrazinamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.076 [ppm]

0.83 [ppm]

5.0 [ppm]

Sicherheitsdaten

wgk: 3
hs_code: 29339990
risk_code: 36/37/38-11
hazard_code: Xi,F
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-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.