N-(2,4-Dimethylphenyl)-3,4,5-trimethoxybenzamide

HCID 836154CAS 300825-95-0

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Grundinformationen

Standard-SMILES: COc1cc(C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC
InChIKey: IZCDIXHXWZMFIA-UHFFFAOYSA-N
Summenformel: C18H21NO4
Durchschnittliche Molmasse: 315,4 g/mol
Monoisotopische Masse: 315,14705815

Namen und Bezeichner

Bevorzugter Name: N-(2,4-Dimethylphenyl)-3,4,5-trimethoxybenzamide
IUPAC: N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide
Englischer Name: N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide
Summenformel: C18H21NO4
Molmasse: 315.36

Namen und Synonyme

N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide300825-95-0RefChem:824007664-784-1Oprea1_115934F3148-0010AKOS002265596ST50183088VU0510770-1AN-652/40195084N-(2,4-dimethylphenyl)(3,4,5-trimethoxyphenyl)carboxamideBenzamide, N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-

Datenbank-Bezeichner

CAS: 300825-95-0
PubChem CID: 836154
EC Number: 664-784-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 56,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 23
Formalladung: 0
Komplexität: 375

Physikochemische Eigenschaften

Siedepunkt: 401.5 · 401.5±45.0 °C(Predicted)
Dichte: 1.155 · 1.155±0.06 g/cm3(Predicted)
pka: 12.85 · 12.85±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.