기본 정보
- 표준 SMILES
CC(=O)Nc1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I- InChIKey
RSBZNKFYPLBYBR-UHFFFAOYSA-N- 분자식
- C18H24I3N3O7
- 평균 분자량
- 775.1 g/mol
개요
structure
이름 및 식별자
- 우선 이름
- Compound 17
- IUPAC
- 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
- 현지명
- 5-(아세틸아미노)-N,N'-비스(2,3-디히드록시프로필)-2,4,6-트리요오도-N,N'-디메틸-1,3-벤젠디카르복사미드
- 영어명
- 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide
- 분자식
- C18H24I3N3O7
- 분자량
- 775.11
이름 및 동의어
31122-84-61,3-Benzenedicarboxamide, 5-(acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-5-acetamido-2,4,6-triiodo-N,N'-di-(2,3-dihydroxypropyl)-N,N'-dimethylisophthalamideRefChem:918961Compound 175-Acetylamino-2,4,6-triiodo-isophthalic acid di-(N-methyl-2,3-dihydroxypropylamide)SCHEMBL619808DTXSID80875071RSBZNKFYPLBYBR-UHFFFAOYSA-NIsophthalamide, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodo-5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl isophthalamide1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-
이름 더 보기
5-(아세틸아미노)-N,N'-비스(2,3-디히드록시프로필)-2,4,6-트리요오도-N,N'-디메틸-1,3-벤젠디카르복사미드Tefluthrin Impurity 35-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodoisophthalamide5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide
5-Acetamido-N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide
데이터베이스 식별자
- CAS
31122-84-6- PubChem CID
- 198101
- DTXSID
DTXSID80875071- ChEMBL
CHEMBL1093266、CHEMBL4641354- Nikkaji
- J68.816I
물성
구조 계산 물성
- XLogP
- -2.2
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 601
실험 및 물리화학적 성질
LogP-2.14
물리화학적 성질
- 녹는점
- 135 · 135-159 °C
- 끓는 점
- 923 · 923.0±65.0 °C(Predicted)
- 밀도
- 1.9601 · 1.9601 (estimate)
- 산도 계수 (pKa)
- 12.15 · 12.15±0.70(Predicted)
관련 반응
2건
연결된 노트
불러오는 중…