기본 정보
- CAS
54060-94-5- 표준 SMILES
CCN(CCC#N)c1ccc(C=CC2=[N+](C)c3ccccc3C2(C)C)cc1.[Cl-]- InChIKey
KRQJHWFEYKEYKT-UHFFFAOYSA-M- 분자식
- C24H28N3.Cl
- 평균 분자량
- 393.9 g/mol
- 단동위원소 질량
- 393.1971756
이름 및 식별자
- 우선 이름
- 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)
- IUPAC
- 3-[N-ethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile chloride
이름 및 동의어
54060-94-5EINECS 258-948-8DTXSID508857481,3,3-Trimethyl-2-(2-(4-(N-ethyl-N-beta-cyanoethylamino)phenyl)vinyl)indolium chloride3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)RefChem:95786DTXCID8010251102-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
이름 더 보기
KRQJHWFEYKEYKT-UHFFFAOYSA-MDB-2511082-(2-{4-[(2-Cyanoethyl)(ethyl)amino]phenyl}ethen-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
물성
구조 계산 물성
- 극성 표면적
- 30 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 613
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesEye Dam. 1 (100%)
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1): INACTIVE
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