3-(메타닐설포닐라미노)페놀성산

(3-((Methylsulfonyl)amino)phenyl)acetic acid

HCID 2773885

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 407640-21-5
표준 SMILES: CS(=O)(=O)Nc1cccc(CC(=O)O)c1
InChIKey: BIOUAIZBGSFDIS-UHFFFAOYSA-N
분자식: C9H11NO4S
평균 분자량: 229.26 g/mol
단동위원소 질량: 229.04087883

이름 및 식별자

우선 이름: (3-((Methylsulfonyl)amino)phenyl)acetic acid
IUPAC: 2-[3-(methanesulfonamido)phenyl]acetic acid
현지명: 3-(메타닐설포닐라미노)페놀성산
영어명: 3-(Methanesulfonylamino)phenylacetic acid
분자식: C9H11NO4S
분자량: 229.25

이름 및 동의어

{3-[(Methylsulfonyl)amino]phenyl}acetic acid(3-((Methylsulfonyl)amino)phenyl)acetic acidRefChem:399457689-781-2407640-21-53-(methylsulphonylamino)phenylacetic acid2-(3-(Methylsulfonamido)phenyl)acetic acid2-[3-(methanesulfonamido)phenyl]acetic acid2-(3-methanesulfonamidophenyl)acetic AcidMFCD034111943-(METHANESULFONYLAMINO)PHENYLACETIC ACIDBenzeneacetic acid, 3-[(methylsulfonyl)amino]-

이름 더 보기

3-(메타닐설포닐라미노)페놀성산3-（Methanrsulfonylamino)phenylacetic acid3-[(methylsulfonyl)amino]Benzeneacetic acid3-(Methanesulfonylamino)phenylacetic acid, min. 95 %

3-(Methylsulphonylamino)phenylaceticAcid{3-[(Methylsulphonyl)amino]phenyl}acetic acidN-[(3-Carboxymethyl)phenyl]methanesulphonamideSCHEMBL2767758DTXSID30378764BIOUAIZBGSFDIS-UHFFFAOYSA-NHRA64021AKOS009158020

데이터베이스 식별자

CAS: 407640-21-5
PubChem CID: 2773885
DTXSID: DTXSID30378764
EC Number: 689-781-2

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 91.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 319

물리화학적 성질

끓는 점: 421.7 · 421.7±47.0 °C(Predicted)
밀도: 1.456 · 1.456±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.14 · 4.14±0.10(Predicted)
물리적 상태: 고체
색상: 갈색을 띤 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.