기본 정보
- CAS
63059-43-8- 표준 SMILES
CCN1C(=CC=Cc2oc3ccccc3[n+]2CC)N(CCN2CCOCC2)c2cc(Cl)ccc21.[I-]- InChIKey
FDZJJIPJNDQFMS-UHFFFAOYSA-M- 분자식
- C27H32ClIN4O2
- 평균 분자량
- 606.9 g/mol
- 단동위원소 질량
- 606.12585
이름 및 식별자
- 우선 이름
- Benzoxazolium, 2-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-(4-morpholinyl)ethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, iodide (1:1)
- IUPAC
- 2-[3-[5-chloro-1-ethyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-1,3-benzoxazol-3-ium iodide
이름 및 동의어
63059-43-8EINECS 263-819-4Benzoxazolium, 2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-(2-(4-morpholinyl)ethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-, iodideBenzoxazolium, 2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-(2-(4-morpholinyl)ethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-, iodide (1:1)Benzoxazolium, 2-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-(4-morpholinyl)ethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-, iodideBenzoxazolium, 2-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-(4-morpholinyl)ethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, iodide (1:1)RefChem:1187092-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-morpholinoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium iodide2-(3-(5-Chloro-1-ethyl-1,3-dihydro-3-(2-morpholinoethyl)-2H-benzimidazol-2-ylidene)prop-1-enyl)-3-ethylbenzoxazolium iodideDTXSID70276119FDZJJIPJNDQFMS-UHFFFAOYSA-M2-(3-{5-chloro-1-ethyl-3-[2-(morpholin-4-yl)ethyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}prop-1-en-1-yl)-3-ethyl-1,3-benzoxazol-3-ium iodide
이름 더 보기
DB-216873NS000551232-(3-{5-Chloro-1-ethyl-3-[2-(morpholin-4-yl)ethyl]-1,3-dihydro-2H-1,3-benzimidazol-2-ylidene}prop-1-en-1-yl)-3-ethyl-1,3-benzoxazol-3-ium iodide
물성
구조 계산 물성
- 극성 표면적
- 36 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 727
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoxazolium, 2-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-(4-morpholinyl)ethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, iodide (1:1): ACTIVE
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