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Lumichrome

CAT: 0024-sc-215272ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-215272ASize:5 g
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CAS Number
1086-80-2

Chemical Information

Lumichrome

Lumichrome is a compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution. It has a role as a plant metabolite. It is functionally related to an alloxazine. It is a tautomer of a 7,8-dimethylisoalloxazine.

CAS Number1086-80-2
PubChem CID5326566
IUPAC Name7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
Molecular FormulaC12H10N4O2
Molecular Weight242.23
XLogP1.1
Topological Polar Surface Area84
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity386
SMILES
CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3
InChI
InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKey
ZJTJUVIJVLLGSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lumichrome
CAS: 1086-80-2
CID: 5326566
Formula: C12H10N4O2
MW: 242.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.23
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass242.08037557
Monoisotopic Mass242.08037557
Topological Polar Surface Area84 Ų
Heavy Atom Count18
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-115385-01Lumichrome
453961Lumichrome-d8
HY-115385R-01Lumichrome (Standard)

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