6745-67-1 (sodium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid,Sodium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic Acid)

CAS号:
6745-67-1
中文名称:
sodium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid
英文名称:
Sodium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic Acid
分子式:
C36H33N13NaO7S2
分子量:
846.849893331528

sodium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid(6745-67-1)名称与标识符

名称

英文别名:
Rayon Black R;Cutamin Black CV;Columbia Fast Black V;Artificial Silk Black R;C.I. Direct Black 28;NSC75917;NSC-75917;C.I. Direct Black 28, disodium salt;C.I. 35260;2, 4-amino-3,6-bis[[4-[(2,4-diamino-5-methylphenyl)azo]phenyl]azo]-5-hydroxy-, disodium salt;4-Amino-3,6-bis[[4-[(2,4-diamino-5-methylphenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulfonic acid disodium salt;sodium,4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid;sodium;6745-67-1;

标识符

InChIKey:
XIERUSIJWIBADB-RGOHSLJVSA-N
Inchi:
1S/C36H33N13O7S2.Na/c1-17-11-28(26(39)15-24(17)37)46-42-20-3-7-22(8-4-20)44-48-34-30(57(51,52)53)13-19-14-31(58(54,55)56)35(36(50)32(19)33(34)41)49-45-23-9-5-21(6-10-23)43-47-29-12-18(2)25(38)16-27(29)40;/h3-16,50H,37-41H2,1-2H3,(H,51,52,53)(H,54,55,56);/q;+1/b46-42+,47-43+,48-44+,49-45+;
SMILES:
S(C1=C(C(=C2C(=C(C(=CC2=C1)S(=O)(=O)O)/N=N/C1C=CC(=CC=1)/N=N/C1C(=CC(=C(C)C=1)N)N)O)N)/N=N/C1C=CC(=CC=1)/N=N/C1=CC(C)=C(C=C1N)N)(=O)(=O)O.[Na+]

sodium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid(6745-67-1)物化性质

实验特性

  • PSA : 354.46

计算特性

  • 精确分子量 : 823.20719
  • 氢键供体数量 : 8
  • 氢键受体数量 : 20
  • 可旋转化学键数量 : 10
  • 同位素质量 : 846.19650207g/mol
  • 重原子数量 : 59
  • 复杂度 : 1710
  • 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 : 2
  • 拓扑分子极性表面积 : 375Ų