CAS 75844-40-5 7-Methyl-4(3H)-quinazolinone (HCID 135452533)

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Grundinformationen

CAS: 75844-40-5
Standard-SMILES: Cc1ccc2c(=O)[nH]cnc2c1
InChIKey: APPHSAIPZPYEGB-UHFFFAOYSA-N
Summenformel: C9H8N2O
Durchschnittliche Molmasse: 160,17 g/mol
Monoisotopische Masse: 160,06366288

Namen und Bezeichner

Bevorzugter Name: 7-Methyl-4(3H)-quinazolinone
IUPAC: 7-methyl-3H-quinazolin-4-one
Englischer Name: 7-METHYLQUINAZOLIN-4(1H)-ONE
Summenformel: C9H8N2O
Molmasse: 160.17

Namen und Synonyme

7-METHYL-4(3H)-QUINAZOLINONERefChem:546831665-748-87-methylquinazolin-4(3H)-one75844-40-57-Methyl-3H-quinazolin-4-one4-Hydroxy-7-methylquinazoline7-methyl-3,4-dihydroquinazolin-4-one7-methylquinazolin-4-olMFCD000894907-METHYLQUINAZOLIN-4(1H)-ONECHEMBL1949851

Weitere Namen anzeigen

7-Methyl-4(1H)-quinazolinone4(3H)-Quinazolinone, 7-methyl-4(3H)-Quinazolinone, 7-methyl- >97%

AKOS006302524MB088057-METHYL-1,4-DIHYDROQUINAZOLIN-4-ONE7-methyl-1H-quinazolin-4-oneSY240814NSC319035Kinome_3826FT-0730660

Datenbank-Bezeichner

CAS: 75844-40-5
PubChem CID: 135452533
DTXSID: DTXSID50317594
ChEMBL: CHEMBL1949851
EC Number: 665-748-8
Nikkaji: J570.271B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

storage temp.: Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.