Methyl 3-amino-6-chloropyrazine-2-carboxylate
Grundinformationen
- CAS
1458-03-3- Standard-SMILES
COC(=O)c1nc(Cl)cnc1N- InChIKey
JGAJCAJHSHUPGH-UHFFFAOYSA-N- Summenformel
- C6H6ClN3O2
- Durchschnittliche Molmasse
- 187,58 g/mol
- Monoisotopische Masse
- 187,0148541
Namen und Bezeichner
- Bevorzugter Name
- Methyl 3-amino-6-chloropyrazine-2-carboxylate
- IUPAC
- methyl 3-amino-6-chloropyrazine-2-carboxylate
- Englischer Name
- Methyl 3-amino-6-chloropyrazine-2-carboxylate
- Summenformel
- C6H6ClN3O2
- Molmasse
- 187.58
Namen und Synonyme
Methyl 3-amino-6-chloropyrazine-2-carboxylate1458-03-3DTXSID70356460RefChem:354859DTXCID30307519850-045-2MFCD00834965methyl 3-amino-6-chloro-2-pyrazinecarboxylate2-PYRAZINECARBOXYLIC ACID, 3-AMINO-6-CHLORO-, METHYL ESTERmethyl3-amino-6-chloropyrazine-2-carboxylateMETHYL 2-AMINO-5-CHLOROPYRAZINE-3-CARBOXYLATEPyrazinecarboxylic acid, 3-amino-6-chloro-, methyl ester
Weitere Namen anzeigen
2-Amino-5-chloro-3-pyrazinecarboxylic acidMethyl3-amino-6-chloropyrazine-2-carboxylate,97%3-aMino-6-chloropyrazine-2-carboxylate Methyl ester3-Amino-6-chloro-2-pyrazinecarboxylic acid methyl ester3-Amino-6-chloro-pyrazine-2-carboxylic acid methyl ester
methyl 3-amino-6-chloro-pyrazine-2-carboxylateSCHEMBL261816SCHEMBL2441537SCHEMBL29844710JGAJCAJHSHUPGH-UHFFFAOYSA-NAKOS006273420AB07403AC-5183
Datenbank-Bezeichner
- CAS
1458-03-3- PubChem CID
- 824637
- DTXSID
DTXSID70356460- EC Number
- 850-045-2
- Nikkaji
- J2.174.351H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 78,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 178
Physikochemische Eigenschaften
- Schmelzpunkt
- 159 · 159-161 ºC
- Siedepunkt
- 334.7 · 334.7±37.0 °C(Predicted)
- Dichte
- 1.465 · 1.465
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- DMSO, Methanol (Slightly)
- pka
- -1.67 · -1.67±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Pale Yellow
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
Chemie und Industrie
Anwendungen
VerwendenMethyl 3-Amino-6-chloropyrazine-2-carboxylate is a reagent used in the design and synthesis of aminopyrazine derivatives as inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2).
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