기본 정보
- CAS
211563-40-5- 표준 SMILES
COC(=O)Nc1ccc(Cl)cc1[C@@](O)(C#CC1CC1)C(F)(F)F- InChIKey
WEIAOBYESJHWBW-AWEZNQCLSA-N- 분자식
- C15H13ClF3NO3
- 평균 분자량
- 347.71 g/mol
- 단동위원소 질량
- 347.0536055
이름 및 식별자
- 우선 이름
- Efavirenz amino alcohol methyl carbamate
- IUPAC
- methyl N-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]carbamate
- 영어명
- [4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl)phenyl]carbamic Acid Methyl Ester
- 분자식
- C15H13ClF3NO3
- 분자량
- 347.72
이름 및 동의어
211563-40-5Efavirenz amino alcohol methyl carbamateSD 573 methyl carbamate[4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl)phenyl]carbamic Acid Methyl EsterSV-993376R1A850VUNII-376R1A850VMethyl [4-Chloro-2-((1S)-1-trifluoromethyl-1-hydroxy-3-cyclopropyl-2-propyn-1-yl)phenyl]carbamatemethyl N-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]carbamateEfavirenz Impurity 8(S)-methyl (4-chloro-2-(4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)phenyl)carbamate[4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl)phenyl]carbamic Acid Methyl
이름 더 보기
Efavirenx 10.Efavirenz IP Imp HEfavirenz Impurity HEfavirenz Impurity 10Efavirenz IP Impurity HSD573-Methyl Carbamate, SV993Efavirenz amino alcohol methylcarbomateEfavirenz Impurity 8(Efavirenz IP Impurity H)Efavirenz IP Impurity H (Efavirenz Amino Alcohol Methyl Carbamate)
METHYL (4-CHLORO-2-((1S)-1-TRIFLUOROMETHYL-1-HYDROXY-3-CYCLOPROPYL-2-PROPYN-1-YL)PHENYL)CARBAMATEDB-290463Q27256642EFAVIRENZ AMINO ALCOHOL METHYL CARBAMATE [USP IMPURITY]EFAVIRENZ IMPURITY, EFAVIRENZ AMINO ALCOHOL METHYL CARBAMATE-(S)-METHYL 4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYLCARBAMATECARBAMIC ACID, (4-CHLORO-2-((1S)-3-CYCLOPROPYL-1-HYDROXY-1-(TRIFLUOROMETHYL)-2-PROPYNYL)PHENYL)-, METHYL ESTERCARBAMIC ACID, N-(4-CHLORO-2-((1S)-3-CYCLOPROPYL-1-HYDROXY-1-(TRIFLUOROMETHYL)-2-PROPYN-1-YL)PHENYL)-, METHYL ESTER
데이터베이스 식별자
- CAS
211563-40-5- PubChem CID
- 10760089
- UNII
- 376R1A850V
- Nikkaji
- J1.067.510C
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 523
물리화학적 성질
- 끓는 점
- 414.1 · 414.1±45.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름, 디클로로메탄, 디메틸설폭사이드, 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.21 · 9.21±0.24(Predicted)
- 색상
- 연한 갈색
화학적 성질
Light-Brown Solid
화학 및 산업
응용 분야
용도An impurity arising in the synthesis of Efavirenz (E425000).
공급사30 곳
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