Products for Research Use Only
RegisterLogin

Acid blue 260

CAT: 0024-sc-493990Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-493990Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
67827-60-5

Chemical Information

2-Anthracenesulfonic acid, 1-amino-4-((3-((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
CAS Number67827-60-5
PubChem CID23675859
IUPAC Namesodium 1-amino-4-[3-(benzamidomethyl)-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonate
Molecular FormulaC31H26N3NaO6S
Molecular Weight591.6
Topological Polar Surface Area167
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1110
SMILES
CC1=CC(=C(C(=C1CNC(=O)C2=CC=CC=C2)C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C.[Na+]
InChI
InChI=1S/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1
InChIKey
OFHDOLUPOLKDSG-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-Anthracenesulfonic acid, 1-amino-4-((3-((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
CAS: 67827-60-5
CID: 23675859
Formula: C31H26N3NaO6S
MW: 591.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass591.14400101
Monoisotopic Mass591.14400101
Topological Polar Surface Area167 Ų
Heavy Atom Count42
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-358648AAcid Blue
sc-358648Acid Blue
sc-223822BML-260
sc-214472BAcid Blue 40
sc-493107Acid Blue 9
sc-214472AAcid Blue 40
sc-214467Acid blue 113
sc-217571Acid blue 80
sc-489718Acid Blue 1
sc-214471AAcid blue 29

Alternative Products

CatalogName
NDA26480Acid blue 324
FA160962-01Acid Blue 29
581236Acid blue 3
HY-123727Acid blue 120
HY-D1173-01Acid blue 113
T29604-01Acid Blue 78
T85558-01Acid Blue 45
260025-01Acid blue 260
JH914880ACID BLUE 185
GTR19350613-01Acid blue 62

Popular Products