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Brilliant Black Bn

CAT: 1299-RG-A260652-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260652-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2519-30-4
Synonyms
Sodium 4-acetamido-5-hydroxy-6- ((E) - (7-sulfonato-4- ((E) - (4-sulfonatophenyl) diazenyl) naphthalen-1-yl) diazenyl) naphthalene-1,7-disulfonate
Molecular Formula
C28H17N5Na4O14S4
Molecular Weight
867.68
Product Name Synonym
Sodium 4-acetamido-5-hydroxy-6- ((E) - (7-sulfonato-4- ((E) - (4-sulfonatophenyl) diazenyl) naphthalen-1-yl) diazenyl) naphthalene-1,7-disulfonate

Chemical Information

Brilliant Black BN

See also: Brilliant Black 1 (annotation moved to); Brilliant black BN, black PN (annotation moved to).

CAS Number2519-30-4
PubChem CID17293
IUPAC Nametetrasodium;4-acetamido-5-hydroxy-6-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonate
Molecular FormulaC28H17N5Na4O14S4
Molecular Weight867.7
Topological Polar Surface Area361
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count5
Heavy Atom Count55
Formal Charge0
Complexity1730
SMILES
CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C28H21N5O14S4.4Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4
InChIKey
GMMAPXRGRVJYJY-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Brilliant Black BN
CAS: 2519-30-4
CID: 17293
Formula: C28H17N5Na4O14S4
MW: 867.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight867.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count5
Exact Mass866.9245621
Monoisotopic Mass866.9245621
Topological Polar Surface Area361 Ų
Heavy Atom Count55
Formal Charge0
Complexity1730
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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