4-Aminophenylacetic acid

HCID 14533CAS 1197-55-3

子结构检索查找相似结构

基本信息

标准SMILES: Nc1ccc(CC(=O)O)cc1
InChIKey: CSEWAUGPAQPMDC-UHFFFAOYSA-N
分子式: C8H9NO2
平均分子量: 151.16 g/mol
单同位素质量: 151.06332853

概述

peptide mimic; structure in first source

名称与标识

首选名称: 4-Aminophenylacetic acid
IUPAC: 2-(4-aminophenyl)acetic acid

名称与别名

4-Aminophenylacetic acid1197-55-3Benzeneacetic acid, 4-amino-P-AMINOPHENYLACETIC ACID4-Aminobenzeneacetic acidAcetic acid, (p-aminophenyl)-p-Amino-alpha-toluic acid1IED47A544NSC-7929DTXSID1061609RefChem:978634-APAA

展开更多名称

DTXCID3033519214-828-72-(4-aminophenyl)acetic acid(4-aminophenyl)acetic acid4-Carboxymethylaniline(para-Aminophenyl)acetic acidMFCD00007916(p-Aminophenyl)acetic acid

数据库标识

CAS: 1197-55-3
PubChem CID: 14533
DTXSID: DTXSID1061609
ChEMBL: CHEMBL3278327
UNII: 1IED47A544
EC Number: 214-828-7
Nikkaji: J27.580H

性质

结构计算性质

XLogP: 0.9
极性表面积: 63.3 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 139

实验与物化性质

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionSolid; [Merck Index] Tan powder; [Alfa Aesar MSDS]

安全与法规

GHS分类

GHS Classification · 4 条

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 9 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.