benzenemethanaminium, n-(4-((4-(diethylamino)phenyl)(4-(ethyl((sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-n-ethyl-ar-sulfo-, hydroxide, inner salt
기본 정보
- CAS
73215-38-0- 표준 SMILES
CCN(c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)C(c3ccccc3)S(=O)(=O)[O-])cc2C)c(C)c1)C(c1ccccc1)S(=O)(=O)[O-]- InChIKey
HMYHLIADMUCKOO-UHFFFAOYSA-M- 분자식
- C43H48N3O6S2-
- 평균 분자량
- 767 g/mol
- 단동위원소 질량
- 766.29845361
이름 및 식별자
- 우선 이름
- benzenemethanaminium, n-(4-((4-(diethylamino)phenyl)(4-(ethyl((sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-n-ethyl-ar-sulfo-, hydroxide, inner salt
- IUPAC
- [4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[phenyl(sulfonato)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]-phenylmethanesulfonate
- 영어명
- hydrogen [4-[[4-(diethylamino)phenyl][4-[ethyl(sulphonatobenzyl)amino]-o-tolyl]methylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(sulphonatobenzyl)ammonium
- 분자식
- C43H48N3O6S2-
- 분자량
- 766.98772
이름 및 동의어
Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-ar-sulfo-, hydroxide, inner saltBenzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-ar-sulfo-, hydroxide, inner saltRefChem:563435EINECS 277-320-473215-38-0Hydrogen (4-((4-(diethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammoniumHydrogen [4-[[4-(diethylamino)phenyl][4-[ethyl(sulphonatobenzyl)amino]-o-tolyl]methylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(sulphonatobenzyl)ammoniumDTXSID40993942HMYHLIADMUCKOO-UHFFFAOYSA-M({[4-(Diethyliminio)cyclohexa-2,5-dien-1-ylidene]methylene}bis[(3-methyl-4,1-phenylene)(ethylazanediyl)])bis(phenylmethanesulfonate)Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl] [4-[ethyl[(sulfophenyl)methyl]amino]-2-methylphenyl ]methylene]-3-methyl-2,5-cyclohexadien-1-yliden e]-N-ethyl-ar-sulfo-, hydroxide, inner salt
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 54
- 형식 전하
- -1
- 복잡도
- 1,440
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-ar-sulfo-, hydroxide, inner salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
관련 반응
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