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

HCID 836154

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Basic information

CAS: 300825-95-0
Standard SMILES: COc1cc(C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC
InChIKey: IZCDIXHXWZMFIA-UHFFFAOYSA-N
Molecular formula: C18H21NO4
Average molar mass: 315.4 g/mol
Monoisotopic mass: 315.14705815

Names & identifiers

Preferred name: N-(2,4-Dimethylphenyl)-3,4,5-trimethoxybenzamide
IUPAC: N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide
English name: N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide
Molecular formula: C18H21NO4
Molecular weight: 315.36

Names & synonyms

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-

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 375

Physicochemical properties

Boiling point: 401.5 · 401.5±45.0 °C(Predicted)
Density: 1.155 · 1.155±0.06 g/cm3(Predicted)
pka: 12.85 · 12.85±0.70(Predicted)
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 400 · H400
Precautionary statements: 273 · P273-P391-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

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.