기본 정보
- 표준 SMILES
COc1ccccc1N1CCN(CCC(C)(C(=O)C2CCCCC2)c2ccccc2)CC1- InChIKey
GXVHRYDXBSTHCF-UHFFFAOYSA-N- 분자식
- C28H38N2O2
- 평균 분자량
- 434.6 g/mol
- 단동위원소 질량
- 434.29332846
이름 및 식별자
- 우선 이름
- 1-Cyclohexyl-4-(4-(2-methoxyphenyl)piperazin-1-yl)-2-methyl-2-phenylbutan-1-one
- IUPAC
- 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one
- 영어명
- 1-Butanone, 1-cyclohexyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-2-phenyl-, dihydrochloride
- 분자식
- C28H38N2O2
- 분자량
- 434.61
이름 및 동의어
228418-79-91-Cyclohexyl-4-(4-(2-methoxyphenyl)piperazin-1-yl)-2-methyl-2-phenylbutan-1-one1-Cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one(?)-LY426965 (hydrochloride)SCHEMBL5370763DTXSID20430946GXVHRYDXBSTHCF-UHFFFAOYSA-NDJA41882L0189581-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3 (phenyl)butyl]piperazine1-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3-(phenyl) butyl]piperazine1-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3-(phenyl)butyl]piperazine
이름 더 보기
LY4269651-Cyclohexyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-2-phenyl-1-butanone1-Butanone, 1-cyclohexyl-4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-Methyl-2-phenyl-1-CYCLOHEXYL-4-[4-(2-METHOXY-PHENYL)-PIPERAZIN-1-YL]-2-PHENYL-BUTAN-1-ONE DIHYDROCHLORIDE1-Butanone, 1-cyclohexyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-2-phenyl-, dihydrochloride
(+)-1-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3-(phenyl)butyl]piperazine(+)-l-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3-(phenyl)butyl]piperazine1-(4'-Cyclohexyl-3'-methyl-4'-oxo-3'-phenylbutyl)-4-(2-methoxyphenyl) piperazine
데이터베이스 식별자
- CAS
228418-79-9- PubChem CID
- 9802987
- DTXSID
DTXSID20430946
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 32.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 576
물리화학적 성질
- 끓는 점
- 587.8 · 587.8±50.0 °C(Predicted)
- 밀도
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 7.17 · 7.17±0.10(Predicted)
안전 및 규제
안전 데이터
- HS 번호
- 2933599590
화학 및 산업
공급사2 곳
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海沃见生物科技有限公司021-18017654 18017654809 · [email protected]
관련 반응
32건
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