rac5-클로로-a-(시클로프로필에티닐)-2-[[(4-메톡시페닐)메틸]아미노]-a-(트리플루오로메틸)-벤젠메탄올

rac 5-Chloro-a-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-a-(trifluoromethyl)benzenemethanol

HCID 20685453
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기본 정보

CAS
221177-56-6
표준 SMILES
COc1ccc(CNc2ccc(Cl)cc2C(O)(C#CC2CC2)C(F)(F)F)cc1
InChIKey
BXJWOBQJYQHISM-UHFFFAOYSA-N
분자식
C21H19ClF3NO2
평균 분자량
409.8 g/mol
단동위원소 질량
409.105641

이름 및 식별자

우선 이름
rac 5-Chloro-a-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-a-(trifluoromethyl)benzenemethanol
IUPAC
2-[5-chloro-2-[(4-methoxyphenyl)methylamino]phenyl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
현지명
rac5-클로로-a-(시클로프로필에티닐)-2-[[(4-메톡시페닐)메틸]아미노]-a-(트리플루오로메틸)-벤젠메탄올
영어명
rac 5-Chloro-a-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-a-(trifluoromethyl)-benzenemethanol
분자식
C21H19ClF3NO2
분자량
409.83

이름 및 동의어

221177-56-6rac 5-Chloro-a-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-a-(trifluoromethyl)benzenemethanolrac 5-Chloro-alpha-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-alpha-(trifluoromethyl)benzenemethanol2-[5-chloro-2-[(4-methoxyphenyl)methylamino]phenyl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol2-(5-Chloro-2-((4-methoxybenzyl)amino)phenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-olrac 5-Chloro-alpha-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-alpha-(trifluoromethyl)benzenemetC21H19ClF3NO2SCHEMBL7655112DTXSID70609382-?-(trifluoromethyl)benzenemethanolMFCD18251412AKOS015896512
이름 더 보기
rac5-클로로-a-(시클로프로필에티닐)-2-[[(4-메톡시페닐)메틸]아미노]-a-(트리플루오로메틸)-벤젠메탄올SD 5725-Chloro-α-(2-cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanolrac 5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)-benzenemethanolBenzenemethanol, 5-chloro-α-(2-cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)-rac 5-Chloro-a-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-a-(trifluoromethyl)-benzenemethanolrac 5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino] -α-(trifluoromethyl)benzenemethanolrac 5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]\n-α-(trifluoromethyl)benzenemethanolrac 5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]_x005f_x005f_x005f_x005f_x005f_x005f_x005f_x005f_x000b_-α-(trifluoromethyl)benzenemethanol
rac 5-Chloro-?-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino](R)-5-Chloro-I+/--(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-I+/--(trifluoromethyl)benzenemethanol2-(5-Chloro-2-{[(4-methoxyphenyl)methyl]amino}phenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol2-[5-chloro-2-[(4-methoxyphenyl)methylamino]phenyl]-4-cyclopropyl-1,1,1-trifluoro-but-3-yn-2-ol3-chloro-6-(4-methoxyphenyl)methylamino-alpha-cyclopropylethynyl-alpha-(trifluoromethyl)benzyl alcohol

데이터베이스 식별자

CAS
221177-56-6
PubChem CID
20685453
DTXSID
DTXSID70609382

물성

구조 계산 물성

XLogP
6
극성 표면적
41.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
28

물리화학적 성질

녹는점
139 · 139-141°C
끓는 점
550.6 · 550.6±50.0 °C(Predicted)
밀도
1.36 · 1.36±0.1 g/cm3(Predicted)
저장 조건
-20 °C · -20°C Freezer
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학 및 산업

응용 분야

용도An impurity arising in the synthesis of Efavirenz (E425000).

공급사9 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

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