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Trypan Blue (C.I. 23850)

CAT: 0862-GT3970-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GT3970-25gSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72-57-1
EC Number
200-786-7
MDL Number
MFCD00003969
HS Code
32041400
Purity
80.00%
Molecular Formula
C34H24N6Na4O14S4
Molecular Weight
960.82
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

C.I. Direct Blue 14

Trypan Blue (Commercial Grade) can cause cancer according to California Labor Code.

CAS Number72-57-1
PubChem CID6296
IUPAC Nametetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Molecular FormulaC34H24N6Na4O14S4
Molecular Weight960.8
Topological Polar Surface Area404
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count5
Heavy Atom Count62
Formal Charge0
Complexity1790
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChIKey
GLNADSQYFUSGOU-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of C.I. Direct Blue 14
CAS: 72-57-1
CID: 6296
Formula: C34H24N6Na4O14S4
MW: 960.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight960.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count5
Exact Mass959.9824113
Monoisotopic Mass959.9824113
Topological Polar Surface Area404 Ų
Heavy Atom Count62
Formal Charge0
Complexity1790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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