기본 정보
- 표준 SMILES
COc1ccc(N2CCN(c3ccc(NC(=O)Oc4ccccc4)cc3)CC2)cc1- InChIKey
NTGBUUXKGAZMSE-UHFFFAOYSA-N- 분자식
- C24H25N3O3
- 평균 분자량
- 403.5 g/mol
- 단동위원소 질량
- 403.18959166
이름 및 식별자
- 우선 이름
- Phenyl N-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)carbamate
- IUPAC
- phenyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
- 현지명
- 4-([4-(4-메틸옥시-페닐)-피페라진-1-일]-페닐)-탄산페닐에스테르
- 영어명
- 4-([4-(4-Methyloxy-phenyl)-piperazin-1-yl]-phenyl)-carbamic acid phenyl ester
- 분자식
- C24H25N3O3
- 분자량
- 403.47
이름 및 동의어
74853-06-8Phenyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamateNHU8WD8J6CPhenyl N-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)carbamateRefChem:10950124-{[4-(4-Methyloxy-phenyl)-piperazin-1-yl]-phenyl}-carbamic Acid Phenyl EsterItraconazole Methoxy Phenoxy ImpurityPHENYL (4-(4-(4-METHOXYPHENYL)PIPERAZIN-1-YL)PHENYL)CARBAMATEPhenyl {4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}carbamatephenyl[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]carbamatephenyl{4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl}carbamateNTGBUUXKGAZMSE-UHFFFAOYSA-N
이름 더 보기
4-([4-(4-메틸옥시-페닐)-피페라진-1-일]-페닐)-탄산페닐에스테르Posaconazole Impurity 139N-[4[4(4-METHOXYPHENYL)-1-PIPERAZINYL]-PHENYL]PHENYLCARBAMATE[4-(4-Methoxypiperazine-1-Yl)Phenyl]carbamic Acid Phenyl EsterPhenyl N-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]carbamateCarbamic acid,N-[4-[4-(4-methoxyphenyl)-1-piperazinyl]-,Phenyl ester[4-[4-(4-Methoxyphenyl)-1-piperazinyl]phenyl]carbaMic Acid Phenyl Ester4-([4-(4-Methyloxy-phenyl)-piperazin-1-yl]-phenyl)-carbamic acid phenyl esterCarbamic acid, N-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-, phenyl ester
1-(4-Methoxyphenyl)-4-(4-phenoxycarbonylaminophenyl)piperazine;phenyl (4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)carbamateorb3213463SCHEMBL2543995DTXSID40359680MFCD03839021AKOS024286551ST094974G85821
데이터베이스 식별자
- CAS
74853-06-8- PubChem CID
- 981607
- DTXSID
DTXSID40359680- UNII
- NHU8WD8J6C
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 54 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 516
물리화학적 성질
- 녹는점
- 184 · 184-188 °C (decomp)
- 끓는 점
- 586.2 · 586.2±50.0 °C(Predicted)
- 밀도
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMF(약간 용해됨), DMSO(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.79 · 12.79±0.70(Predicted)
- 색상
- 회색
화학적 성질
Grey Solid
화학 및 산업
응용 분야
용도4-{[4-(4-Methyloxy-phenyl)-piperazin-1-yl]-phenyl}-carbamic Acid Phenyl Ester (cas# 74853-06-8) is a compound useful in organic synthesis.
상·하류 제품 정보
하류 제품
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