1-methyl-1H-indazol-5-amine

HCID 2768032CAS 50593-24-3

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Grundinformationen

Standard-SMILES: Cn1ncc2cc(N)ccc21
InChIKey: PYOFNPHTKBSXOM-UHFFFAOYSA-N
Summenformel: C8H9N3
Durchschnittliche Molmasse: 147,18 g/mol
Monoisotopische Masse: 147,07964729

Namen und Bezeichner

Bevorzugter Name: 1-methyl-1H-indazol-5-amine
IUPAC: 1-methylindazol-5-amine
Englischer Name: 1-Methyl-1H-indazol-5-amine
Summenformel: C8H9N3
Molmasse: 147.18

Namen und Synonyme

1-METHYL-1H-INDAZOL-5-AMINE50593-24-3DTXSID70377635RefChem:231490DTXCID30328663806-999-75-Amino-1-methyl-1H-indazole1-Methyl-1H-indazol-5-ylamine1-methylindazol-5-amineMFCD033054555-AMINO-1-METHYLINDAZOLECHEMBL1650263

Weitere Namen anzeigen

1-methyl-5-indazolamine1-Methyl-5-amino-1H-indazole1-methyl-1H-indazole-5-amine5-AMino-1-Methyl-1H-indaz...

1H-INDAZOL-5-AMINE, 1-METHYL-1-methyl-5-aminoindazol1-methyl-5-aminoindazole5-amino-1-methyl-indazole1-methyl-indazol-5-ylamineSCHEMBL378619orb3181671SCHEMBL30006507

Datenbank-Bezeichner

CAS: 50593-24-3
PubChem CID: 2768032
DTXSID: DTXSID70377635
ChEMBL: CHEMBL1650263
EC Number: 806-999-7
Nikkaji: J661.384E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
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

Physikochemische Eigenschaften

Schmelzpunkt: 142 · 142-144°C
Siedepunkt: 321.6 · 321.6±15.0 °C(Predicted)
Dichte: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Crystalline Powder
pka: 3.85 · 3.85±0.10(Predicted)
Farbe: Brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 29339980
hazard_code: Xi
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Methyl-5-amino-1H-indazole is used in preparation of Hydrazone compounds having (Hetero)aryl group at terminal Amine group for treating tau protein-associated disease. Also, used in preparation of Dihydroisoindole-1H-pyrazolo[3,4-d]pyrimidinone compounds as Wee1 inhibitors for treatment of kinase-related diseases.