기본 정보
- CAS
52078-66-7- 표준 SMILES
CCN1C(=CC=Cc2oc3cc(C)c(C)cc3[n+]2CC)Oc2cc(C)c(C)cc21.[I-]- InChIKey
XFGPBUWHEYUAMX-UHFFFAOYSA-M- 분자식
- C25H29IN2O2
- 평균 분자량
- 516.4 g/mol
- 단동위원소 질량
- 516.12738
이름 및 식별자
- 우선 이름
- Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-5,6-dimethyl-, iodide (1:1)
- IUPAC
- 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole iodide
이름 및 동의어
52078-66-7EINECS 257-642-1DTXSID108859815,6,5',6'-Tetramethyl-3,3'-diethyl-2,2'-oxacarbocyanine iodideBenzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propenyl)-5,6-dimethyl-, iodideBenzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-5,6-dimethyl-, iodide (1:1)Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-5,6-dimethyl-, iodide (1:1)Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propenyl]-5,6-dimethyl-, iodideRefChem:118734DTXCID101025333XFGPBUWHEYUAMX-UHFFFAOYSA-MNS00060768
이름 더 보기
3-Ethyl-2-(3-(3-ethyl-5,6-dimethyl-3H-benzoxazol-2-ylidene)prop-1-enyl)-5,6-dimethylbenzoxazolium iodide3-Ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-5,6-dimethyl-1,3-benzoxazol-3-ium iodide
데이터베이스 식별자
- CAS
52078-66-7- PubChem CID
- 103585
- DTXSID
DTXSID10885981- EC Number
- 257-642-1
물성
구조 계산 물성
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 580
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-5,6-dimethyl-, iodide (1:1): INACTIVE
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