Home Amines 116-95-0
116-95-0,MFCD00012119
Catalog No.:AA00IMGP

116-95-0 | Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt

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1g
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$43.00   $30.00
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25g
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$79.00   $56.00
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Technical Information
Catalog Number:
AA00IMGP
Chemical Name:
Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt
CAS Number:
116-95-0
Molecular Formula:
C27H32N2O6S2
Molecular Weight:
544.6828
MDL Number:
MFCD00012119
SMILES:
CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)O)c2ccc(cc2)N(CC)CC)C=C1)CC
Properties
Computed Properties
 
Complexity:
1050  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
8  
XLogP3:
3.5  

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Tags:116-95-0 Molecular Formula|116-95-0 MDL|116-95-0 SMILES|116-95-0 Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt