기본 정보
- CAS
136213-73-5- 표준 SMILES
CCN(CCO)c1ccc(N=Nc2sc3cc(OC)ccc3[n+]2C)c(C)c1.COS(=O)(=O)[O-]- InChIKey
OSAYMYAZZLURDI-UHFFFAOYSA-M- 분자식
- C21H28N4O6S2
- 평균 분자량
- 496.6 g/mol
- 단동위원소 질량
- 496.14502697
이름 및 식별자
- 우선 이름
- 2-((4-(Ethyl-(2-hydroxyethyl)amino)-2-methylphenyl)azo)-6-methoxy-3-methyl-benzothiazolium methylsulfate
- IUPAC
- 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol;methyl sulfate
- 현지명
- 2-((4-(에틸-(2-하이드록시에틸)아미노)-2-메틸페닐)아조)-6-메 톡시-3-메틸-벤조티아졸륨 메틸설페이트
- 영어명
- Methylsulfate salt of 2-[ethyl-4-(6-methoxy-3-methylbenzothiazolium-2-ylazo)-3-methyl- phenyl]amino]ethanol
- 분자량
- 0
이름 및 동의어
136213-73-5RefChem:448616EC 411-100-22-((4-(ethyl-(2-hydroxyethyl)amino)-2-methylphenyl)azo)-6-methoxy-3-methyl-benzothiazolium methylsulfate411-100-2OSAYMYAZZLURDI-UHFFFAOYSA-MDTXSID4013349872-((4-(Ethyl(2-hydroxyethyl)amino)-2-methylphenyl)diazenyl)-6-methoxy-3-methylbenzo[d]thiazol-3-ium methyl sulfate2-({4-[Ethyl(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate2-[2-[4-[Ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-6-methoxy-3-methyl-benzothiazolium methyl sulfate (1:1)2-((4-(에틸-(2-하이드록시에틸)아미노)-2-메틸페닐)아조)-6-메 톡시-3-메틸-벤조티아졸륨 메틸설페이트2-[에틸-4-(6-메톡시-3-메틸벤조티아졸륨-2-일라조)-3-메틸-페닐]아미노]에탄올의메틸황산염
이름 더 보기
Methylsulfate salt of 2-[ethyl-4-(6-methoxy-3-methylbenzothiazolium-2-ylazo)-3-methyl- phenyl]amino]ethanol
물성
구조 계산 물성
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 585
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationREACH registered substance: 2-((4-(ethyl-(2-hydroxyethyl)amino)-2-methylphenyl)azo)-6-methoxy-3-methyl-benzothiazolium methylsulfate (EC: 411-100-2)
Hazard Classes and Categories
Specific target organ toxicity (repeated exposure) - category 2
STOT RE 2 *
안전 데이터
- risk_code
- 43-48/22-50/53
- hazard_code
- Xn,N
- safety_code
- 22-36/37-60-61
- 기존화학 물질
- 97-3-533
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