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Methanaminium,N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,inner salt, sodium salt (1:1) | 5863-53-6

Methanaminium,N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,inner salt, sodium salt (1:1)结构式图片|5863-53-6结构式图片
Methanaminium,N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,inner salt, sodium salt (1:1)
5863-53-6
C32H36N3O6S2+
622.77474
165367
名称和标识符
InChIKey CXNNGVUGAQWNGE-UHFFFAOYSA-O
Inchi InChI=1S/C32H35N3O6S2/c1-6-35(22-23-8-7-9-29(20-23)42(36,37)38)28-18-19-30(31(21-28)43(39,40)41)32(24-10-14-26(15-11-24)33(2)3)25-12-16-27(17-13-25)34(4)5/h7-21H,6,22H2,1-5H3,(H-,36,37,38,39,40,41)/p+1
SMILES CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(C)C)S(=O)(=O)O
别名信息
- 中文别名 -
- 英文别名 -
  • Methanaminium,N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,inner salt, sodium salt (1:1)
  • ACID VIOLET 10B,BIOLOGICAL STAIN
  • FAST ACID VIOLET 10B
  • Methanaminium,N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadie
  • ACID FAST VIOLET 10B
  • Acid Red 10B
  • ACID VIOLET 10B
  • AcidMordantDarkBlue
  • C.I.AcidBlue13
  • Violet 54
  • C.I. Acid Blue 13, sodium salt
  • A4686
  • Lissamine Violet 10B
  • 5863-53-6
  • C.I. Acid Blue 13
  • Fast Acid Violet 10B
  • Acidal Fast Violet 10B
  • Fast Acid Violet 10BG
  • NSC47748
  • DTXSID60974177
  • SCHEMBL5815136
  • Acid Leather Violet 10B
  • 4-{[4-(Dimethylamino)phenyl](4-{ethyl[(3-sulfophenyl)methyl]amino}-2-sulfophenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium
  • Kiton Violet 10B
  • Acilan Violet 10B
  • Acidine Fast Violet 10B
  • Hispacid Fast Violet 10B
  • [4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
  • Erio Cyanine R
  • Pontacyl Fast Violet 10B
  • Hidacid Fast Violet 10B
  • NSC-47748
物化性质
实验特性
LogP 12.79490
PSA 215.72000
计算特性
精确分子量 1184.42000
氢键供体数量 2
氢键受体数量 8
可旋转化学键数量 9
同位素质量 622.20455322g/mol
重原子数量 43
复杂度 1250
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 4.3
拓扑分子极性表面积 135Ų
专业数据库参考
PubChemId 165367
化合物详情(旧版)

SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C(C=C(C=C3)N(CC)CC4=CC(=CC=C4)S(=O)(O)=O)S(=O)(O)=O

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Methanaminium,N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,inner salt, sodium salt (1:1)推荐生产厂家
960化工网为您提供Methanaminium,N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,inner salt, sodium salt (1:1)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:5863-53-6,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:5863-53-6
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