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Fluorescent Brightener 5Bm

CAT: 1299-RG-F030006-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-F030006-01Size:10 mg
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CAS Number
13863-31-5
Synonyms
Sodium 6,6'- (ethene-1,2-diyl) bis (3- ((4- ((2-hydroxyethyl) (methyl) amino) -6- (phenylamino) -1,3,5-triazin-2-yl) amino) benzenesulfonate)
Molecular Formula
C38H40N12O8S2*2Na
Molecular Weight
900.9
Product Name Synonym
Sodium 6,6'- (ethene-1,2-diyl) bis (3- ((4- ((2-hydroxyethyl) (methyl) amino) -6- (phenylamino) -1,3,5-triazin-2-yl) amino) benzenesulfonate)

Chemical Information

Tinopal 5BM
CAS Number13863-31-5
PubChem CID6433586
IUPAC Namedisodium;5-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Molecular FormulaC38H38N12Na2O8S2
Molecular Weight900.9
Topological Polar Surface Area304
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Heavy Atom Count62
Formal Charge0
Complexity1410
SMILES
CN(CCO)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N(C)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
InChI
InChI=1S/C38H40N12O8S2.2Na/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52;;/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;/q;2*+1/p-2/b14-13+;;
InChIKey
VVYVUOFMPAXVCH-QDBORUFSSA-L
Chemical Structure
2D Structure
2D structure of Tinopal 5BM
CAS: 13863-31-5
CID: 6433586
Formula: C38H38N12Na2O8S2
MW: 900.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight900.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Exact Mass900.21723713
Monoisotopic Mass900.21723713
Topological Polar Surface Area304 Ų
Heavy Atom Count62
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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