기본 정보
- CAS
31616-66-7- 표준 SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2nc(-c3ccccc3)ns2)c(C)c1- InChIKey
OBOPQJVCYIBVIV-UHFFFAOYSA-N- 분자식
- C22H29N6S+
- 평균 분자량
- 409.6 g/mol
- 단동위원소 질량
- 409.21744112
이름 및 식별자
- 우선 이름
- 2-(Ethyl(3-methyl-4-(2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl)phenyl)amino)-N,N,N-trimethylethanaminium
- IUPAC
- 2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium
- 영어명
- [2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium
- 분자식
- C22H29N6S+
- 분자량
- 409.57
이름 및 동의어
31616-66-72-(Ethyl(3-methyl-4-(2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl)phenyl)amino)-N,N,N-trimethylethanaminium2-[Ethyl[3-methyl-4-[2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]-N,N,N-trimethylethanaminiumRefChem:253973(2-(N-Ethyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-m-toluidino)ethyl)trimethylammonium[2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammoniumEINECS 250-733-7DTXSID10865425OBOPQJVCYIBVIV-UHFFFAOYSA-NNS000842262-(Ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethan-1-aminiumC.I. Basic red 23
이름 더 보기
2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-2-[ethyl[3-methyl-4-[(3-phenyl-12-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-2-[Ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethylethanaminium
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 82 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 1
- 복잡도
- 516
물리화학적 성질
- 산도 계수 (pKa)
- 1.133 · 1.133±0.50(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Ethanaminium, 2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…