1-Ethyl-1H-pyrazol-5-amine

HCID 337310CAS 3528-58-3

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Grundinformationen

Standard-SMILES: CCn1nccc1N
InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
Summenformel: C5H9N3
Durchschnittliche Molmasse: 111,15 g/mol
Monoisotopische Masse: 111,0796473

Namen und Bezeichner

Bevorzugter Name: 1-Ethyl-1H-pyrazol-5-amine
IUPAC: 2-ethylpyrazol-3-amine
Englischer Name: 5-Amino-1-ethylpyrazole
Summenformel: C5H9N3
Molmasse: 111.15

Namen und Synonyme

1-Ethyl-1H-pyrazol-5-amineDTXSID40320092RefChem:432341DTXCID20271215609-110-93528-58-35-Amino-1-ethylpyrazole1-Ethyl-5-aminopyrazole2-ethylpyrazol-3-amine1H-Pyrazol-5-amine, 1-ethyl-MFCD00010849C5H9N3

Weitere Namen anzeigen

AKOS B024267ART-CHEM-BB B024267TIMTEC-BB SBB0055545-Amino-1-ethylpyrazol1-ethy-pyrazol-5-aMine2-ethyl-3-pyrazolamine2-Amino-1-ethylpyrazole

NSC 354694Pyrazole, 5-amino-1-ethyl-5-Amino-1-ethyl-1H-pyrazole2-Ethyl-2H-pyrazol-3-ylamine1-Ethyl-1H-pyrazol-5-amine #PB15601AS-198021-ethylpyrazole-5-ylamine

Datenbank-Bezeichner

CAS: 3528-58-3
PubChem CID: 337310
DTXSID: DTXSID40320092
EC Number: 609-110-9
Nikkaji: J456.557F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 43,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 74

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-57 °C (lit.)
Siedepunkt: 92 · 92-94 °C/0.01 mmHg (lit.)
Dichte: 1.0671 · 1.0671 (rough estimate)
Brechungsindex: 1.534 · 1.5340 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
pka: 4.18 · 4.18±0.10(Predicted)
InChI: 1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3
InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
SMILES: CCn1nccc1N
CAS Datenbank: 3528 · 3528-58-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.1%): 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)

Aggregated GHS information provided per 54 reports by companies from 7 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.