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

HCID 836154CAS 300825-95-0

기본 정보

표준 SMILES: COc1cc(C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC
InChIKey: IZCDIXHXWZMFIA-UHFFFAOYSA-N
분자식: C18H21NO4
평균 분자량: 315.4 g/mol
단동위원소 질량: 315.14705815

이름 및 식별자

우선 이름: N-(2,4-Dimethylphenyl)-3,4,5-trimethoxybenzamide
IUPAC: N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide
영어명: N-(2,4-dimethylphenyl)-3,4,5-trimethoxybenzamide
분자식: C18H21NO4
분자량: 315.36

이름 및 동의어

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-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 56.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 375

물리화학적 성질

끓는 점: 401.5 · 401.5±45.0 °C(Predicted)
밀도: 1.155 · 1.155±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.85 · 12.85±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.