tert-Butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine-1-carboxylate
기본 정보
- CAS
1228780-71-9- 표준 SMILES
CC1(C)CCC(CN2CCN(C(=O)OC(C)(C)C)CC2)=C(c2ccc(Cl)cc2)C1- InChIKey
ZGQXNVGCEUEJOC-UHFFFAOYSA-N- 분자식
- C24H35ClN2O2
- 평균 분자량
- 419 g/mol
- 단동위원소 질량
- 418.2387061
이름 및 식별자
- 우선 이름
- tert-Butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carboxylate
- 영어명
- tert-butyl 4-((4'-chloro-5,5-diMethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)Methyl)piperazine-1-carboxylate
- 분자식
- C24H35ClN2O2
- 분자량
- 419
이름 및 동의어
tert-butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine-1-carboxylateEC 941-919-5tert-Butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine-1-carboxylateRefChem:893539941-919-51228780-71-9tert-butyl 4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine-1-carboxylatetert-butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carboxylatetert-Butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazine-1-carboxylateMFCD28129721SCHEMBL523152orb3143718
이름 더 보기
124258Vinetola Impurity 10tert-butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,...tert-Butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazintert butyl 4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexene) methyl) piperazine-1-carboxylatetert-butyl 4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine-1-carboxylate
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 32.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 607
물리화학적 성질
- 끓는 점
- 493.4 · 493.4±45.0 °C(Predicted)
- 밀도
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 7.18 · 7.18±0.10(Predicted)
- InChI
- InChI=1S/C24H35ClN2O2/c1-23(2,3)29-22(28)27-14-12-26(13-15-27)17-19-10-11-24(4,5)16-21(19)18-6-8-20(25)9-7-18/h6-9H,10-17H2,1-5H3
- InChIKey
- ZGQXNVGCEUEJOC-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCN(CC2CCC(C)(C)CC=2C2=CC=C(Cl)C=C2)CC1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationREACH registered substance: tert-butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine-1-carboxylate (EC: 941-919-5)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
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하류 제품
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