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| Name |
1-Butanaminium, N-(4-((4-(butyl(2-sulfoethyl)amino)phenyl)(4-((4-ethoxyphenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1) |
EINECS | 227-512-9 |
| CAS No. | 5863-47-8 | Density | N/A |
| PSA | 158.67000 | LogP | 8.94190 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C39H49N3O7S2.Na | Boiling Point | N/A |
| Molecular Weight | 758.93 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Butanaminium,N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-,hydroxide, inner salt, monosodium salt;1-Butanaminium, N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-,inner salt, monosodium salt (9CI);C.I. Acid Blue 100 (7CI);C.I. Acid Blue100, monosodium salt (8CI);Acid Blue 100;Acid Blue 7BF;C.I. 42675;DycosweakAcid Blue 7BF;Lerui Acid Brilliant Blue 7BF;Supranol Cyanin 7BF;SupranolCyanine 7B;Supranol Cyanine 7BF; |
1-Butanaminium, N-(4-((4-(butyl(2-sulfoethyl)amino)phenyl)(4-((4-ethoxyphenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1) Specification
This chemical is called 1-Butanaminium, N-(4-((4-(butyl(2-sulfoethyl)amino)phenyl)(4-((4-ethoxyphenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1), and its CAS registry number is 5863-47-8. With the molecular formula of C39H49N3O7S2.Na, its molecular weight is 758.93.
Other characteristics of the 1-Butanaminium, N-(4-((4-(butyl(2-sulfoethyl)amino)phenyl)(4-((4-ethoxyphenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1) can be summarised as followings: (1)#H bond acceptors: 10; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 19; (4)Polar Surface Area: 144.22 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[O-]S(=O)(=O)CCN(c1ccc(cc1)C(=C2/C=C\C(=[N+](/CCCC)CCS([O-])(=O)=O)\C=C2)/c4ccc(Nc3ccc(OCC)cc3)cc4)CCCC
2.InChI: InChI=1/C39H49N3O7S2.Na/c1-4-7-25-41(27-29-50(43,44)45)36-19-11-32(12-20-36)39(31-9-15-34(16-10-31)40-35-17-23-38(24-18-35)49-6-3)33-13-21-37(22-14-33)42(26-8-5-2)28-30-51(46,47)48;/h9-24H,4-8,25-30H2,1-3H3,(H2,43,44,45,46,47,48);/q;+1/p-1
3.InChIKey: NETSNTQRMHVIEK-REWHXWOFAS
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