기본 정보
- CAS
2084138-48-5- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)C(=Nc2ccc(F)c(Br)c2)NO)CC1- InChIKey
SRTAGQZGQRMBJF-UHFFFAOYSA-N- 분자식
- C18H23BrFN3O4
- 평균 분자량
- 444.3 g/mol
이름 및 식별자
- 우선 이름
- N-(3-Bromo-4-fluorophenyl)-N'-hydroxy-2-(1-Boc-4-piperidinyl)-2-oxoacetimidamide
- IUPAC
- tert-butyl 4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]piperidine-1-carboxylate
- 영어명
- N-(3-Bromo-4-fluorophenyl)-N’-hydroxy-2-(1-Boc-4-piperidinyl)-2-oxoacetimidamide
- 분자식
- C18H23BrFN3O4
- 분자량
- 444.3
이름 및 동의어
2084138-48-5N-(3-Bromo-4-fluorophenyl)-N'-hydroxy-2-(1-Boc-4-piperidinyl)-2-oxoacetimidamideMFCD31558579N-(3-Bromo-4-fluorophenyl)-N inverted exclamation mark -hydroxy-2-(1-Boc-4-piperidinyl)-2-oxoacetimidamideN-(3-Bromo-4-fluorophenyl)-N-hydroxy-2-(1-Boc-4-piperidinyl)-2-oxoacetimidamidetert-Butyl 4-(2-((3-bromo-4-fluorophenyl)imino)-2-(hydroxyamino)acetyl)piperidine-1-carboxylateMFCD34577462C18H23BrFN3O4AC5443SY1298121-Piperidinecarboxylicacid,4-[[[(3-bromo-4-fluorophenyl)imino](hydroxyamino)methyl]carbonyl]-,1,1-dimethylethylestertert-butyl 4-[2-(3-bromo-4-fluoro-phenyl)imino-2-(hydroxyamino)acetyl]piperidine-1-carboxylate
이름 더 보기
N-(3-Bromo-4-fluorophenyl)-N’-hydroxy-2-(1-Boc-4-piperidinyl)-2-oxoacetimidamide1-Piperidinecarboxylic acid, 4-[[[(3-bromo-4-fluorophenyl)imino](hydroxyamino)methyl]carbonyl]-, 1,1-dimethylethyl ester
tert-butyl 4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]piperidine-1-carboxylate
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 91.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 573
물리화학적 성질
- 끓는 점
- 546.4 · 546.4±60.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.41 · 7.41±0.69(Predicted)
화학 및 산업
공급사3 곳
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
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