2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide

HCID 26622

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部分構造検索類似構造を探す

基本情報

CAS: 14301-31-6
標準SMILES: COc1ccc(CCNC(=O)CCl)cc1OC
InChIKey: WWBJEBQJHYKQHM-UHFFFAOYSA-N
分子式: C12H16ClNO3
平均分子量: 257.71 g/mol
単同位体質量: 257.08187105

名称と識別子

優先名称: 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
IUPAC: 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
英語名: 2-Chloro-N-(2-(3,4-dimethoxyphenyl)ethyl)acetamide
分子式: C12H16ClNO3
分子量: 257.71

名称と別名

2-CHLORO-N-(2-(3,4-DIMETHOXY-PHENYL)-ETHYL)-ACETAMIDE2-Chloro-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamideRefChem:469990651-694-214301-31-62-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide2-Chloro-N-(3,4-dimethoxyphenethyl)acetamideACETAMIDE, 2-CHLORO-N-(3,4-DIMETHOXYPHENETHYL)-2-CHLORO-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)ACETAMIDEMFCD00187582N-(Chloroacetyl)-2-(3,4-dimethoxyphenyl)ethylamineNSC-46829

名称をさらに表示

AKOS 221-06N-Chloroacetyl-3,4-dimethoxyphenethylamine2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Acetamide, 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-NSC 46829N-[2-(3,4-dimethoxyphenyl)ethyl]-2-chloroacetamideBRN 2813319NSC468297Q8RZ48QEBSCHEMBL9051137alpha-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

データベース識別子

CAS: 14301-31-6
PubChem CID: 26622
DTXSID: DTXSID10162289
UNII: 7Q8RZ48QEB
EC Number: 651-694-2
Nikkaji: J643.496G

物性

構造計算による物性

XLogP: 1.6
極性表面積: 47.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 17
形式電荷: 0
複雑度: 238

物理化学的性質

融点: 96 °C · 96 °C
沸点: 437.3 · 437.3±45.0 °C(Predicted)
比重(密度): 1.168 · 1.168±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 13.94 · 13.94±0.46(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.