2-아세트아미도페놀

2-Acetamidophenol

HCID 11972CAS 4746-61-6

기본 정보

표준 SMILES: CC(=O)Nc1ccccc1O
InChIKey: ADVGKWPZRIDURE-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

개요

2-acetamidophenol is a member of the class of phenols that is 2-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. A positional isomer of paracetamol which possesses anti-inflammatory, anti-arthritic and anti-platelet aggregation properties. It has a role as an antineoplastic agent, an antirheumatic drug, a platelet aggregation inhibitor, an anti-inflammatory agent, an apoptosis inducer and a xenobiotic metabolite. It is a member of acetamides and a member of phenols.

이름 및 식별자

우선 이름: 2-Acetamidophenol
IUPAC: N-(2-hydroxyphenyl)acetamide
현지명: 2-하이드록시-N-페닐아세트아마이드
영어명: 2-Hydroxy-N-phenylacetamide
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

2-Acetamidophenol614-80-2N-(2-Hydroxyphenyl)acetamideo-Hydroxyacetanilide2-Hydroxyacetanilide2-Acetaminophenolo-Acetamidophenol2-(Acetylamino)phenolo-(Acetylamino)phenolo-AcetaminophenolN-Acetyl-o-aminophenolN-Acetyl-2-aminophenol

이름 더 보기

2-하이드록시-N-페닐아세트아마이드GlycolanilideCetirizine Impurity 52Cinnarizine Impurity 52HydroxyacetylaminobenzeneDiclofenac EP Impurity 132-Hydroxy-N-phenylacetamideN-Phenyl-2-hydroxyacetamideDiclofenac sodium impurity 1Diclofenac Sodium Impurity 32Acetamide, 2-hydroxy-N-phenyl-

Acet-o-aminofenolAcetanilide, 2'-hydroxy-o-AcetylaminofenolDTXSID80220824AS8989RNI2-(N-ACETYLAMINO)PHENOLDTXCID402082CHEBI:143107

데이터베이스 식별자

CAS: 4746-61-6、57047-65-1、614-80-2
PubChem CID: 11972
DTXSID: DTXSID8022082
ChEMBL: CHEMBL1456301
ChEBI: CHEBI:143107
UNII: 4AS8989RNI
EC Number: 210-396-9
Nikkaji: J43.339J

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 147

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

Collision Cross Section130.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8022082]

물리화학적 성질

녹는점: 92 °C · 92 °C
끓는 점: 273.17 °C · 273.17°C (rough estimate)
밀도: 1.2023 · 1.2023 (rough estimate)
굴절률: 1.581 · 1.5810 (estimate)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13.41 · 13.41±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98%): 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 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.