기본 정보
- CAS
56463-76-4- 표준 SMILES
CC(=O)c1c(C)[nH]c(-c2ccccc2C)c1N- InChIKey
DRDYVLJETGWPMM-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-(2-methylphenyl)-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone
- 영어명
- 1-[4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone
- 분자식
- C14H16N2O
- 분자량
- 228.29
이름 및 동의어
BRN 047836656463-76-4ETHANONE, 1-(4-AMINO-2-METHYL-5-(2-METHYLPHENYL)-1H-PYRROL-3-YL)-Ketone, (4-amino-2-methyl-5-(o-tolyl)pyrrol-3-yl) methylDTXSID802050161-(4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl)ethanone5-22-13-00090 (Beilstein Handbook Reference)RefChem:341187DTXCID80127507SCHEMBL11452602DRDYVLJETGWPMM-UHFFFAOYSA-N1-[4-amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethan-1-one
이름 더 보기
1-[4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanoneEthanone, 1-[4-amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]-
DB-2912584-Acetyl-3-amino-2-(o-tolyl)-5-methylpyrrole4-acetyl-3-amino-5-methyl-2-(o-tolyl)-pyrrole1-[4-Amino-2-methyl-5-(2-methylphenyl)-1h-pyrrol-3-yl ]ethanone
데이터베이스 식별자
- CAS
56463-76-4- PubChem CID
- 41888
- DTXSID
DTXSID80205016- Nikkaji
- J61.520J
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
7건
화합물 노트
불러오는 중…