CAS 2903-48-2 2-(2,6-Dimethylphenylamino)-2-oxoacetic acid (HCID 14987869)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2903-48-2
표준 SMILES: Cc1cccc(C)c1NC(=O)C(=O)O
InChIKey: JFTAPSBIODPQJN-UHFFFAOYSA-N
분자식: C10H11NO3
평균 분자량: 193.2 g/mol

개요

structure in first source

이름 및 식별자

우선 이름: 2-(2,6-Dimethylphenylamino)-2-oxoacetic acid
IUPAC: 2-(2,6-dimethylanilino)-2-oxoacetic acid
현지명: [(2,6-디메틸페닐)아미노](옥소)아세트산
영어명: [(2,6-DiMethylphenyl)aMino](oxo)acetic Acid
분자식: C10H11NO3
분자량: 193.2

이름 및 동의어

2-(2,6-dimethylphenylamino)-2-oxoacetic acidRefChem:8242022903-48-2[(2,6-dimethylphenyl)carbamoyl]formic acid2,6-Dimethylanilino(oxo)acetic acid2-(2,6-dimethylanilino)-2-oxoacetic acidN-(2,6-Dimethylphenyl)oxamic acidMFCD10018453[(2,6-Dimethylphenyl)amino](oxo)acetic Acid2-((2,6-Dimethylphenyl)amino)-2-oxoacetic acidOxanilic acid, 2',6'-dimethyl-CVT-2537

이름 더 보기

[(2,6-디메틸페닐)아미노](옥소)아세트산DMPAOLidocaine Impurity 5-d62,6-dimethylanilinoxoacetic acid6-DiMethylphenyl)aMino](oxo)acetic Acid

2-[(2,6-Dimethylphenyl)amino]-2-oxoacetic AcidJ7KKT84Z1ZAcetic acid, 2-[(2,6-dimethylphenyl)amino]-2-oxo-RS-89289Acetic acid, 2-((2,6-dimethylphenyl)amino)-2-oxo-(2,6-Dimethylanilino)(oxo)acetic Acid2-(2,6-dimethylanilino)-2-oxo-acetic acid((2,6-Dimethylphenyl)Carbamoyl)formic acid

데이터베이스 식별자

CAS: 2903-48-2
PubChem CID

물성

구조 계산 물성

XLogP: 1
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 230

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Metabolite of Ranolazine

물리화학적 성질

녹는점: 178 · 178-180 °C
밀도: 1.29 · 1.290±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 0.12 · 0.12±0.54(Predicted)
물리적 상태: 가루
색상: 흰색에서 거의 흰색
InChI: 1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey: JFTAPSBIODPQJN-UHFFFAOYSA-N
SMILES: O=C(C(O)=O)NC1=C(C)C=CC=C1C

화학적 성질

White Crystalline Powder

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.