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

HCID 836154

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 300825-95-0
標準SMILES: COc1cc(C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC
InChIKey: IZCDIXHXWZMFIA-UHFFFAOYSA-N
分子式: C18H21NO4
平均分子量: 315.4 g/mol
単同位体質量: 315.14705815

名称と識別子

優先名称: N-(2,4-Dimethylphenyl)-3,4,5-trimethoxybenzamide
IUPAC: N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide
英語名: N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide
分子式: C18H21NO4
分子量: 315.36

名称と別名

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-

データベース識別子

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

物性

構造計算による物性

XLogP: 3.4
極性表面積: 56.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 23
形式電荷: 0
複雑度: 375

物理化学的性質

沸点: 401.5 · 401.5±45.0 °C(Predicted)
比重(密度): 1.155 · 1.155±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.85 · 12.85±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.