2-(4-アミノフェニル)アセトアミド

2-(4-Aminophenyl)acetamide

HCID 238034CAS 6633-76-7

部分構造検索類似構造を探す

基本情報

標準SMILES: NC(=O)Cc1ccc(N)cc1
InChIKey: PBFBGLBYZHLKHL-UHFFFAOYSA-N
分子式: C8H10N2O
平均分子量: 150.18 g/mol
単同位体質量: 150.07931295

名称と識別子

優先名称: 2-(4-Aminophenyl)acetamide
IUPAC: 2-(4-aminophenyl)acetamide
現地名: 2-(4-アミノフェニル)アセトアミド
英語名: Benzeneacetamide, 4-amino- (9CI)
分子式: C8H10N2O
分子量: 150.18

名称と別名

2-(4-aminophenyl)acetamideDTXSID50285527RefChem:456707DTXCID30236678809-825-86633-76-7Benzeneacetamide, 4-amino- (9CI)4-AMino-benzeneacetaMideBenzeneacetamide, 4-amino-MFCD067963704-aminophenylacetamide(4-aminophenyl)acetamide

名称をさらに表示

2-(4-アミノフェニル)アセトアミド

NSC421622-(4-aminophenyl)-acetamideSCHEMBL687483SCHEMBL4605217SCHEMBL6686356PBFBGLBYZHLKHL-UHFFFAOYSA-NGAA63376NSC-42162

データベース識別子

CAS: 6633-76-7
PubChem CID: 238034
DTXSID: DTXSID50285527
EC Number: 809-825-8

物性

構造計算による物性

XLogP: 0.3
極性表面積: 69.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 139

物理化学的性質

融点: 161 · 161-162 °C
沸点: 399.2 · 399.2±25.0 °C(Predicted)
比重(密度): 1.198 · 1.198±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 16.42 · 16.42±0.40(Predicted)
LogP: -0.83 · -0.830 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.