8-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione
기본 정보
- CAS
155270-98-7- 표준 SMILES
CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CC)c1=O- InChIKey
IZFYJVITWLNDJA-CSKARUKUSA-N- 분자식
- C19H22N4O4
- 평균 분자량
- 370.4 g/mol
- 단동위원소 질량
- 370.1641052
이름 및 식별자
- 우선 이름
- 8-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
- 영어명
- 8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione
- 분자식
- C19H22N4O4
- 분자량
- 370.4
이름 및 동의어
155270-98-78-[(1E)-2-(3,4-DIMETHOXYPHENYL)ETHENYL]-1,3-DIETHYL-3,9-DIHYDRO-1H-PURINE-2,6-DIONES4B3NNC5WX8-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dioneRefChem:1074606(E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-1H-purine-2,6(3H,7H)-dione(E)-8-(3,4-Dimethoxystyryl)-1,3-diethylxanthine8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dioneMFCD017577981H-Purine-2,6-dione, 8-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-CHEMBL3736368(E)-8-(3,4-dimethoxystyryl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione
이름 더 보기
8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihyd...(E)-8-(3,4-dimethoxystyryl)-1,3-diethyl-3,7-dihydro-1H-purin-2,6-dione(E)-8-(3,4-dimethoxystyryl)-1,3-diethyl-3, 7dihydro-1H-purine-2, 6-dione(E)-8-[2-(3,4-diMethoxyphenyl)vinyl)-1,3-diethyl-3,7-dihydropurine-2,6-dione(E)-8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione8-[(dE)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-lH-purine-2,6-dione
(E)-8-(3,4-dimethoxystyryl)-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dioneIZFYJVITWLNDJA-CSKARUKUSA-N8-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione(E)-1,3-Diethyl-8-(2-(3,4-dimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneA1H3JSCHEMBL7310635BDBM50499051AKOS016011921
데이터베이스 식별자
- CAS
155270-98-7- PubChem CID
- 6445788
- ChEMBL
CHEMBL3736368- UNII
- S4B3NNC5WX
- Nikkaji
- J2.470.290A、J2.888.327G
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 87.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 584
물리화학적 성질
- 녹는점
- 267 °C · 267 °C(Solv: N,N-dimethylformamide (68-12-2))
- 끓는 점
- 612.9 · 612.9±65.0 °C(Predicted)
- 밀도
- 1.28 · 1.280
- 산도 계수 (pKa)
- 7.98 · 7.98±0.70(Predicted)
- InChI
- InChI=1S/C19H22N4O4/c1-5-22-17-16(18(24)23(6-2)19(22)25)20-15(21-17)10-8-12-7-9-13(26-3)14(11-12)27-4/h7-11H,5-6H2,1-4H3,(H,20,21)/b10-8+
- InChIKey
- IZFYJVITWLNDJA-CSKARUKUSA-N
- SMILES
- N1C2=C(N(CC)C(=O)N(CC)C2=O)NC=1/C=C/C1=CC=C(OC)C(OC)=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
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2건
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