기본 정보
- CAS
1160247-57-3- 표준 SMILES
Cc1ccc2c(c1)C(CC(=O)O)CC21CCN(C(=O)OC(C)(C)C)CC1- InChIKey
ZXASCEXLGZLAJN-UHFFFAOYSA-N- 분자식
- C21H29NO4
- 평균 분자량
- 359.5 g/mol
이름 및 식별자
- 우선 이름
- 2-(1'-(tert-Butoxycarbonyl)-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
- IUPAC
- 2-[6-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid
- 영어명
- 2-(1'-(Tert-Butoxycarbonyl)-5-Methyl-2,3-Dihydrospiro[Indene-1,4'-Piperidine]-3-Yl)Acetic Acid
- 분자식
- C21H29NO4
- 분자량
- 359.46
이름 및 동의어
1160247-57-32-(1'-(tert-Butoxycarbonyl)-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid2-(1-(Tert-Butoxycarbonyl)-5-Methyl-2,3-Dihydrospiro[Indene-1,4-Piperidine]-3-Yl)Acetic Acid2-(1'-(Tert-butoxycarbonyl)-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetic acid2-[6-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid2-{1'-[(tert-butoxy)carbonyl]-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}acetic acidMFCD12198613AKOS027428859AS-74477W141672-(1'-tert-butoxycarbonyl-6-methyl-spiro[indane-3,4'-piperidine]-1-yl)acetic acid2-(1'-(tert-Butoxycarbonyl)-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)aceticacid
이름 더 보기
2-(1-(Tert-Butoxycarbonyl)-5-Methyl-2,3-Dihydrospiro[Indene-1,4-Piperidine]-3-Yl)Acetic Acid(WX105064)Spiro[1H-indene-1,4'-piperidine]-3-acetic acid, 1'-[(1,1-dimethylethoxy)carbonyl]-2,3-dihydro-5-methyl-
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 545
물리화학적 성질
- 끓는 점
- 522.5 · 522.5±50.0 °C(Predicted)
- 밀도
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.59 · 4.59±0.10(Predicted)
화학 및 산업
공급사5 곳
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