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C.I. Acid red 138

CAT: 0931-T85948-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T85948-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15792-43-5
Target
Others
Related Pathways
Others
Bioactivity
C.I. Acid Red 138 is an acid dye that can be efficiently adsorbed and removed by bentone clay.
Smiles
CC(NC1=CC(S(=O)([O-])=O)=CC2=C1C(O)=C(/N=N/C3=CC=C(C=C3)CCCCCCCCCCCC)C(S(=O)([O-])=O)=C2)=O.[Na+].[Na+]
Molecular Formula
C30H37N3Na2O8S2
Molecular Weight
677.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C.I. Acid Red 138
CAS Number15792-43-5
PubChem CID85109
IUPAC Namedisodium;5-acetamido-3-[(4-dodecylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Molecular FormulaC30H37N3Na2O8S2
Molecular Weight677.7
Topological Polar Surface Area205
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count45
Formal Charge0
Complexity1070
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)O.[Na+].[Na+]
InChI
InChI=1S/C30H39N3O8S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35;;/h14-20,35H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
InChIKey
CZWHGIACASUWJC-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of C.I. Acid Red 138
CAS: 15792-43-5
CID: 85109
Formula: C30H37N3Na2O8S2
MW: 677.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight677.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass677.18174606
Monoisotopic Mass677.18174606
Topological Polar Surface Area205 Ų
Heavy Atom Count45
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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