기본 정보
- CAS
88338-63-0- 표준 SMILES
Cc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1- InChIKey
JBXSBZBZASARMY-UHFFFAOYSA-N- 분자식
- C11H12N6O3
- 평균 분자량
- 276.25 g/mol
- 단동위원소 질량
- 276.09708824
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Chinoin 170
- IUPAC
- 1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione
- 영어명
- 3,7-Dihydro-1,3-dimethyl-7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-1H- purine-2,6-dione
- 분자식
- C11H12N6O3
- 분자량
- 276.25
이름 및 동의어
Chinoin 170Chinoin-17088338-63-0DTXSID902369723,7-Dihydro-1,3-dimethyl-7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-3-(theophyllin-7-ylmethyl)-5-methyl-1,2,4-oxadiazole3,7-dihydro-1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1h-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-RefChem:125209DTXCID201594637-((5-Methyl-1,2,4-oxadiazol-3-yl)methyl)theophylline
이름 더 보기
3,7-Dihydro-1,3-dimethyl-7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-1H- purine-2,6-dione
CH-1701,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione3-((1,3-Dimethylxanthin-7-yl)methyl)-5-methyl-1,2,4-oxadiazoleYDA5V2F8HRSCHEMBL6438430CHEMBL4303231JBXSBZBZASARMY-UHFFFAOYSA-N
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 97.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 432
물리화학적 성질
- 끓는 점
- 419.16 °C · 419.16°C (rough estimate)
- 밀도
- 1.3133 · 1.3133 (rough estimate)
- 굴절률
- 1.7 · 1.7000 (estimate)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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3건
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