N-(4-ヒドロキシフェニル)ブチルアミド

4'-Hydroxybutyranilide

HCID 66874CAS 101-91-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCC(=O)Nc1ccc(O)cc1
InChIKey: KESXDDATSRRGAH-UHFFFAOYSA-N
分子式: C10H13NO2
平均分子量: 179.22 g/mol
単同位体質量: 179.09462866

名称と識別子

優先名称: 4'-Hydroxybutyranilide
IUPAC: N-(4-hydroxyphenyl)butanamide
現地名: N-(4-ヒドロキシフェニル)ブチルアミド
英語名: N-Butyryl-p-aminophenol
分子式: C10H13NO2
分子量: 179.22

名称と別名

4'-HydroxybutyranilideN-(4-Hydroxyphenyl)butanamideN-Butyryl-p-aminophenol4-Butyramidophenolp-ButyramidophenolSuconox-4p-(Butyrylamino)phenolN-Butyroyl-p-aminophenolButanamide, N-(4-hydroxyphenyl)-Butyranilide, 4'-hydroxy-UNII-VLQ9M6ZONHVLQ9M6ZONH

名称をさらに表示

N-(4-ヒドロキシフェニル)ブチルアミドN-(4-ヒドロキシフェニル)ブタンアミド4'-ヒドロキシブチルアニリド4′-ヒドロキシブチルアニリドN-BUTYRYL-PARA-AMINOPHENOL4'-Hydroxybutyranilide 97%N-(4-hydroxyphenyl)butyramiden-(4-hydroxyphenyl)-butanamid4′-Hydroxybutyranilide, CAS 101-91-7

Butyranilide, p-hydroxy-NSC 166351EINECS 202-988-0NSC-166351DTXSID00592414'-HYDROXYBUTYRANILIDE [MI]N-(4-HYDROXYPHENYL) BUTYRAMIDERefChem:96007

データベース識別子

CAS: 101-91-7
PubChem CID: 66874
DTXSID: DTXSID0059241
UNII: VLQ9M6ZONH
EC Number: 202-988-0、925-112-5
Nikkaji: J4.996D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 49.3 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: 3
重原子数: 13
形式電荷: 0
複雑度: 162

物理化学的性質

融点: 137 · 137-141 °C (lit.)
沸点: 311.75 °C · 311.75°C (rough estimate)
比重(密度): 1.1248 · 1.1248 (rough estimate)
屈折率: 1.571 · 1.5710 (estimate)
酸解離定数(Pka): 10.12 · 10.12±0.26(Predicted)
Merck: 13 · 13,4839
InChI: 1S/C10H13NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3,(H,11,13)
InChIKey: KESXDDATSRRGAH-UHFFFAOYSA-N
SMILES: CCCC(=O)Nc1ccc(O)cc1
EPAの化学物質情報: Butanamide, N-(4-hydroxyphenyl)- (101-91-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.