1-Ethyl-3,3-dimethyl-2-(2-(phenylamino)vinyl)-3H-indol-1-ium-5-sulfonate
기본 정보
- CAS
146368-09-4- 표준 SMILES
CC[N+]1=C(/C=C/Nc2ccccc2)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21- InChIKey
DZZLKLFMSFKOPT-UHFFFAOYSA-N- 분자식
- C20H22N2O3S
- 평균 분자량
- 370.5 g/mol
- 단동위원소 질량
- 370.13511374
이름 및 식별자
- 우선 이름
- 1-Ethyl-3,3-dimethyl-2-(2-(phenylamino)vinyl)-3H-indol-1-ium-5-sulfonate
- IUPAC
- 2-[(E)-2-anilinoethenyl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate
- 영어명
- 3H-Indolium，1-Ethyl-3,3- Dimethyl-2-[2-(phenylamino)ethenyl]-5-Sulfo，inner salt.
- 분자식
- C20H22N2O3S
- 분자량
- 370.47
이름 및 동의어
146368-09-41-Ethyl-3,3-dimethyl-2-(2-(phenylamino)vinyl)-3H-indol-1-ium-5-sulfonate2-[(E)-2-anilinoethenyl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate(E)-1-ethyl-3,3-dimethyl-2-(2-(phenylamino)vinyl)-3H-indol-1-ium-5-sulfonate3H-Indolium1-Ethyl-3,3- Dimethyl-2-[2-(phenylamino)ethenyl]-5-Sulfoinner salt.DTXSID804763051-ethyl-3,3-dimethyl-2-[(1E)-2-(phenylamino)ethenyl]-3H-indol-1-ium-5-sulfonateAKOS0158419472-[(E)-2-Anilinoethenyl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate1-Ethyl-3,3-dimethyl-2-(2-(phenylamino)-vinyl)-3H-indol-1-ium-5-sulfonate2-[(E)-2-Anilinoethen-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate3H-Indolium-1-ethyl-3,3-dimethyl-2-[2-(phenylamino)-ethyenyl-5-sulfo] inner salt
이름 더 보기
3H-IndoliuM,1-Ethyl-3,3- DiMethyl-2-[2-(phenylaMino)ethenyl]-5-S3H-Indolium，1-Ethyl-3,3- Dimethyl-2-[2-(phenylamino)ethenyl]-5-Sulfo，inner salt.
데이터베이스 식별자
- CAS
146368-09-4- PubChem CID
- 12037270
- DTXSID
DTXSID80476305
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 80.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 656
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
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