[4-(3-chloro-4-methoxyphenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-cyclohexylphenyl)methanone
기본 정보
- CAS
861211-52-1- 표준 SMILES
COc1ccc(C2CN(C)CC2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl- InChIKey
LSZXSJRLEMPHQV-UHFFFAOYSA-N- 분자식
- C25H30ClNO2
- 평균 분자량
- 412 g/mol
- 단동위원소 질량
- 411.1965069
이름 및 식별자
- 우선 이름
- [4-(3-chloro-4-methoxyphenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-cyclohexylphenyl)methanone
- IUPAC
- [4-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]-(4-cyclohexylphenyl)methanone
- 영어명
- [4-(3-Chloro-4-methoxyphenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-cyclohexylphenyl)methanone
- 분자식
- C25H30ClNO2
- 분자량
- 411.96
이름 및 동의어
861211-52-1[4-(3-chloro-4-methoxyphenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-cyclohexylphenyl)methanone3-(3-chloro-4-methoxyphenyl)-4-(4-cyclohexylbenzoyl)-1-methylpyrrolidine[4-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]-(4-cyclohexylphenyl)methanoneDTXSID901130651AKOS0050870582X-0846[4-(3-Chloro-4-methoxyphenyl)-1-methyl-3-pyrrolidinyl](4-cyclohexylphenyl)methanone[4-(3-Chloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl](4-cyclohexylphenyl)methanoneMethanone, [4-(3-chloro-4-methoxyphenyl)-1-methyl-3-pyrrolidinyl](4-cyclohexylphenyl)-
데이터베이스 식별자
- CAS
861211-52-1- PubChem CID
- 4269268
- DTXSID
DTXSID901130651
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 541
물리화학적 성질
- 끓는 점
- 547.9 · 547.9±50.0 °C(Predicted)
- 밀도
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.39 · 8.39±0.60(Predicted)
관련 반응
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