Aminopyridazine

HCID 230373CAS 5469-70-5

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Grundinformationen

Standard-SMILES: Nc1cccnn1
InChIKey: LETVJWLLIMJADE-UHFFFAOYSA-N
Summenformel: C4H5N3
Durchschnittliche Molmasse: 95,1 g/mol
Monoisotopische Masse: 95,04834717

Namen und Bezeichner

Bevorzugter Name: Aminopyridazine
IUPAC: pyridazin-3-amine
Englischer Name: Pyridazin-3-amine
Summenformel: C4H5N3
Molmasse: 95.1

Namen und Synonyme

aminopyridazineRefChem:4977873-Aminopyridazinepyridazin-3-amine5469-70-53-PYRIDAZINAMINEpyridazin-3-ylamineMFCD01529869imino-pyridazinePyridazine, 3-amino-(Pyridazin-3-yl)amineNSC25228

Weitere Namen anzeigen

Pyridazine-3-amine2-AMINOPYRIDAZINEPyridazin-2-amine3-Amino pyradizine3-amino-1,2-diazine

NSC-25228YQP8QA3E57CHEMBL5170155BCP22422BP-21190AM20100349XGVpyridazineamine

Datenbank-Bezeichner

CAS: 5469-70-5
PubChem CID: 230373
DTXSID: DTXSID30282256
ChEMBL: CHEMBL5170155
UNII: YQP8QA3E57
EC Number: 639-365-1
Nikkaji: J81.045B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
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

Physikochemische Eigenschaften

Schmelzpunkt: 171 °C · 171 °C
Siedepunkt: 326.2 · 326.2±15.0 °C(Predicted)
Dichte: 1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 4.88 · 4.88±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to pale yellow
InChI: InChI=1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7)
InChIKey: LETVJWLLIMJADE-UHFFFAOYSA-N
SMILES: C1(N)=NN=CC=C1
CAS Datenbank: 5469 · 5469-70-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.