2-クロロ-N-(2-フェニルエチル)アセトアミド

2-Chloro-N-phenethyl-acetamide

HCID 94921

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 13156-95-1
標準SMILES: O=C(CCl)NCCc1ccccc1
InChIKey: LNWWGHNQLOXRTF-UHFFFAOYSA-N
分子式: C10H12ClNO
平均分子量: 197.66 g/mol
単同位体質量: 197.0607417

名称と識別子

優先名称: 2-Chloro-N-phenethyl-acetamide
IUPAC: 2-chloro-N-(2-phenylethyl)acetamide
現地名: 2-クロロ-N-(2-フェニルエチル)アセトアミド
英語名: 2-CHLORO-N-PHENETHYLACETAMIDE
分子式: C10H12ClNO
分子量: 197.66

名称と別名

2-Chloro-N-phenethyl-acetamideRefChem:470342695-978-42-Chloro-N-phenethylacetamide13156-95-12-Chloro-N-(2-phenylethyl)acetamideAcetamide, 2-chloro-N-phenethyl-MFCD00245084Acetamide, 2-chloro-N-(2-phenylethyl)-NSC-8377NSC 8377BRN 2102348

名称をさらに表示

2-クロロ-N-(2-フェニルエチル)アセトアミド2-クロロ-N-フェネチルアセトアミドSKL825AKOS B028817BUTTPARK 80\07-97AKOS BBS-00000816Praziquantel Impurity 162-chloro-n-phenethyl-acetamid

N-(2-PHENYLETHYL)CHLOROACETAMIDEN-phenethyl-2-chloroacetamideAI3-23562NSC8377Acetamide,2-chloro-N-(2-phenylethyl)-N-PhenethylchloroacetamideAG9HA2QS9JSCHEMBL696928

データベース識別子

CAS: 13156-95-1
PubChem CID: 94921
DTXSID: DTXSID10157110
ChEMBL: CHEMBL3244840
UNII: AG9HA2QS9J
EC Number: 695-978-4
Nikkaji: J810.666E

物性

構造計算による物性

XLogP: 2.1
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 155

物理化学的性質

融点: 67 · 67-70°C
沸点: 186 · 186-189 °C(Press: 14 Torr)
比重(密度): 1.145 · 1.145±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: Solid
酸解離定数(Pka): 13.94 · 13.94±0.46(Predicted)
CAS データベース: 13156 · 13156-95-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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