기본 정보
- CAS
56463-70-8- 표준 SMILES
CC(=O)c1c(C)[nH]c(-c2cccc(C)c2)c1N- InChIKey
ZXSFNRUVYVQVDB-UHFFFAOYSA-N- 분자식
- C14H16N2O
- 평균 분자량
- 228.29 g/mol
- 단동위원소 질량
- 228.12626314
이름 및 식별자
- 우선 이름
- Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-
- IUPAC
- 1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone
- 영어명
- 1-[4-Amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone
- 분자식
- C14H16N2O
- 분자량
- 228.29
이름 및 동의어
56463-70-8ETHANONE, 1-(4-AMINO-2-METHYL-5-(3-METHYLPHENYL)-1H-PYRROL-3-YL)-BRN 0477626Ketone, (4-amino-2-methyl-5-(m-tolyl)pyrrol-3-yl) methyl1-(4-Amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl)ethanoneSCHEMBL11461492DTXSID60205014ZXSFNRUVYVQVDB-UHFFFAOYSA-N1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethan-1-oneDB-2912594-Acetyl-3-amino-5-methyl-2-(m-tolyl)pyrrole4-Acetyl-3-amino-5-methyl-2-(m-tolyl)-pyrrole
이름 더 보기
1-[4-Amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanoneEthanone, 1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]-
1-[4-Amino-2-methyl-5-(3-methylphenyl)-1h-pyrrol-3-yl ]ethanone
데이터베이스 식별자
- CAS
56463-70-8- PubChem CID
- 41886
- DTXSID
DTXSID60205014
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 292
물리화학적 성질
- 끓는 점
- 370.1 °C · 370.1°C (rough estimate)
- 밀도
- 1.0604 · 1.0604 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
관련 반응
5건
화합물 노트
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