Methyl-3,5-diamino-6-chlorpyrazincarboxylat

Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

HCID 73827CAS 1458-01-1

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Grundinformationen

Standard-SMILES: COC(=O)c1nc(Cl)c(N)nc1N
InChIKey: KOOBYHRLTYIPTH-UHFFFAOYSA-N
Summenformel: C6H7ClN4O2
Durchschnittliche Molmasse: 202,6 g/mol
Monoisotopische Masse: 202,02575314

Namen und Bezeichner

Bevorzugter Name: Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
IUPAC: methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
Lokaler Name: Methyl-3,5-diamino-6-chlorpyrazincarboxylat
Englischer Name: Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
Summenformel: C6H7ClN4O2
Molmasse: 202.6

Namen und Synonyme

Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate3,5-Diamino-6-chloropyrazine-2-carboxylic Acid Methyl Ester2-PYRAZINECARBOXYLIC ACID, 3,5-DIAMINO-6-CHLORO-, METHYL ESTERUNII-4KAT2Q9CHL4KAT2Q9CHLMethyl 3,5-diamino-6-chloropyrazinecarboxylatePyrazinecarboxylic acid, 3,5-diamino-6-chloro-, methyl esterEINECS 215-946-1DTXSID20163161AMILORIDE HYDROCHLORIDE IMPURITY A [EP IMPURITY]AMILORIDE HYDROCHLORIDE IMPURITY A (EP IMPURITY)RefChem:157402

Weitere Namen anzeigen

3,5-diamino-6-chLMethyl 3,5-diamino-6oropyrazine-2-carboxyLAmiloride EP Impurity AAmiloride impurity A CRSAmiloriderelatedcompoundAAmiloride USP Related Compound AAmiloride EP Impurity A(USP RC A)Methyl 3,5-Diamino-6-chloropyrazineMETHYL 3,5-DIAMINO-6-CHLOROPYRAZINE-2-C&

DTXCID60856521458-01-1MFCD01928388C6H7ClN4O2Methyl 3,5-diamino-6-chloro-2-pyrazinecarboxylatemethyl-3,5-diamino-6-chloropyrazine-2-carboxylateMETHYL 3, 5-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXYLATEMethyl3,5-diamino-6-chloropyrazine-2-carboxylate

Datenbank-Bezeichner

CAS: 1458-01-1
PubChem CID: 73827
DTXSID: DTXSID20163161
UNII: 4KAT2Q9CHL
EC Number: 215-946-1
Nikkaji: J298.643D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 104 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 203

Physikochemische Eigenschaften

Schmelzpunkt: 211 · 211-215 °C (lit.)
Siedepunkt: 449.9 · 449.9±40.0 °C(Predicted)
Dichte: 1.555 · 1.555±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Sonicated)
Aggregatzustand: solid
pka: -0.1 · -0.10±0.10(Predicted)
Farbe: Light Brown to Brown
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)
InChIKey: KOOBYHRLTYIPTH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Cl)=C(N)N=C1N
CAS Datenbank: 1458 · 1458-01-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Warning

H315 (88.2%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.