(2R)-1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanol

HCID 16655948CAS 868405-66-7

기본 정보

표준 SMILES: O[C@@H](CCl)CNc1ccc(N2CCOCC2)c(F)c1
InChIKey: NQGHQKBSPVNNDS-NSHDSACASA-N
분자식: C13H18ClFN2O2
평균 분자량: 288.74 g/mol

이름 및 식별자

우선 이름: (2R)-1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanol
IUPAC: (2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol
영어명: Linezolid Impurity 8
분자식: C13H18ClFN2O2
분자량: 288.75

이름 및 동의어

868405-66-7(2R)-1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanolSGY4BA844BSCHEMBL2867969NQGHQKBSPVNNDS-NSHDSACASA-NN-(3-Chloro-2-(R)-hydroxypropyl)-3-fluoro-4-morpholinylanilinen-[3-chloro-2-(r) -hydroxypropyl]-3-fluoro-4-morpholinyl anilineN-[3-Chloro-2-(R)-hydroxypropyl]-3-fluoro-4-morpholinyl aniline(R)-1-Chloro-3-[[3-fluoro-4-(morpholin-4-yl)phenyl]amino]propan-2-ol1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanol, (2R)-N-(3-Chloro-(2R)-2-hydroxypropyl)-3-fluoro-4-(4-morpholinyl)anilineN-[3-chloro-2-(R)-hydroxypropyl]-3-fluoro-4-(4-morpholinyl)aniline

이름 더 보기

Linezolid Impurity 8Linezolid Impurity1325(R)-1-Chloro-3-((3-fluoro-4-morpholinophenyl)amino)propan-2-olN-[3-chloro-2-(R)-hydroxypropyl]-3-fluoro-4-(morpholin-4-yl)aniline

2-Propanol, 1-chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-, (2R)-

데이터베이스 식별자

CAS: 868405-66-7
PubChem CID: 16655948
UNII: SGY4BA844B

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 44.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 267

물리화학적 성질

끓는 점: 488.5 · 488.5±45.0 °C(Predicted)
밀도: 1.32 · 1.320±0.06 g/cm3(Predicted)
산도 계수 (pKa): 13.48 · 13.48±0.20(Predicted)

화학 및 산업

응용 분야 · 1건

용도(2R)-1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanol is an intermediate in synthesizing N-[(2S)-3-Amino-2-hydroxypropyl]-N-[3-fluoro-4-(4-morpholinyl)phenyl] Acetamide Hydrochloride (A609075), one of the major thermal degradation products of Linezolid (L466500). Linezolid impurity.