기본 정보
- CAS
159788-00-8- 표준 SMILES
CC1=CC(=C(C#N)C#N)C=C(C=Cc2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)O1- InChIKey
DTZWGKCFKSJGPK-UHFFFAOYSA-N- 분자식
- C27H29N3O
- 평균 분자량
- 411.5 g/mol
- 단동위원소 질량
- 411.23106256
이름 및 식별자
- 우선 이름
- 2-[2-Methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile
- IUPAC
- 2-[2-methyl-6-[2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile
- 영어명
- 4-(Dicyanomethylene)-2-methyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran
- 분자식
- C27H29N3O
- 분자량
- 411.54
이름 및 동의어
SCHEMBL148707DCJTDCJT , 4-(DicyanoMethylene)-2-Methyl-6-(1,1,7,7-tetraMethylju4-(Dicyanomethylene)-2-methyl-6-(1,1,7,7-tetramethyljulolidy...4-(Dicyanomethylene)-2-methyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran4-(Dicyanomethylen)-2-methyl-4-((1,1,7,7-tetramethyljulolidin-6-yl)vin-1-yl)-4H-pyran2-(2-Methyl-6-(2-(1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)vinyl)-4H-pyran-4-ylidene)malononitrile2-[2-Methyl-6-[2-(2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]propanedinitrile(E)-2-(2-methyl-6-(2-(1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)vinyl)-4H-pyran-4-ylidene)malononitrilePropanedinitrile, 2-[2-methyl-6-[2-(2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-
데이터베이스 식별자
- CAS
159788-00-8- PubChem CID
- 74017865
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 60.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 926
물리화학적 성질
- 녹는점
- 324.86 °C · 324.86°C
- 끓는 점
- 537.4 · 537.4±50.0 °C(Predicted)
- 밀도
- 1.18 · 1.18
- 산도 계수 (pKa)
- 6.2 · 6.20±0.60(Predicted)
화학 및 산업
공급사21 곳
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
武汉卓嘉科技有限公司027-51118240 18627830133;13476056444 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
瀚商化工科技有限公司021-50521775 15800962688 · [email protected]
北京研诺信诚化工有限公司86-10-82830276
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
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