2-Methyl-2H-indazol-6-amine

HCID 590220

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Grundinformationen

CAS: 50593-30-1
Standard-SMILES: Cn1cc2ccc(N)cc2n1
InChIKey: MHCWLERQNFATHZ-UHFFFAOYSA-N
Summenformel: C8H9N3
Durchschnittliche Molmasse: 147,18 g/mol
Monoisotopische Masse: 147,0796473

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-2H-indazol-6-amine
IUPAC: 2-methylindazol-6-amine
Englischer Name: 6-Amino-2-methyl-2H-indazole
Summenformel: C8H9N3
Molmasse: 147.18

Namen und Synonyme

2-Methyl-2H-indazol-6-amine50593-30-1DTXSID10343516RefChem:475253DTXCID70294595640-917-96-Amino-2-methyl-2H-indazole2-methylindazol-6-amineMFCD004648662-Methyl-2H-indazol-6-ylamineMLS0006876216-AMINO-2-METHYLINDAZOLE

Weitere Namen anzeigen

2-Methyl-2H-indazole-6-amine6-aMine-2-Methyl-2H-indazole6-Amino-2-methyl-2H-indaz...2H-Indazol-6-amine, 2-methyl-6-AMINO-2-METHYLBENZO[C]PYRAZOLE

2-methyl-6-indazolamine6-amino-2-methyl-indazoleOprea1_680225Oprea1_807157cid_590220SCHEMBL1489105HMS1675M16SMR000283391

Datenbank-Bezeichner

CAS: 50593-30-1
PubChem CID: 590220
DTXSID: DTXSID10343516
ChEMBL: CHEMBL1421438
EC Number: 640-917-9
Nikkaji: J2.394.961J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 43,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 148

Experimentelle und physikochemische Eigenschaften

Solubility<0.1 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 148 · 148-150
Siedepunkt: 354.8 · 354.8±15.0 °C(Predicted)
Dichte: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.31 · 3.31±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Yellow to green
InChI: InChI=1S/C8H9N3/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,9H2,1H3
InChIKey: MHCWLERQNFATHZ-UHFFFAOYSA-N
SMILES: N1=C2C(C=CC(N)=C2)=CN1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.