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Alkali Blue 6B

CAT: 0024-sc-291853Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-291853Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1324-76-1

Chemical Information

C.I. Pigment Blue 61
CAS Number1324-76-1
PubChem CID156614038
IUPAC Name4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline;sulfuric acid
Molecular FormulaC37H31N3O4S
Molecular Weight613.7
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity915
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4)C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6.OS(=O)(=O)O
InChI
InChI=1S/C37H29N3.H2O4S/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33;1-5(2,3)4/h1-27,38-39H;(H2,1,2,3,4)
InChIKey
HSNDLXNGWWYKRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of C.I. Pigment Blue 61
CAS: 1324-76-1
CID: 156614038
Formula: C37H31N3O4S
MW: 613.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight613.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass613.20352765
Monoisotopic Mass613.20352765
Topological Polar Surface Area119 Ų
Heavy Atom Count45
Formal Charge0
Complexity915
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

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Alternative Products

CatalogName
101720 5Alkali Blue
AB0016Alkali blue 6B
T89093-01Alkali blue 6B monosodium
00102 00025Alkali Blue Indicator 6B
281305-01Alkali Blue (6B) (pH Indicator)
10300500Alkali Blue 6B (Indicator Solution)
BAA32476-01Alkali blue (C.I. 42765)
AB1016Alkali blue 6B sodium salt
HY-W110925-01Alkali blue 6B monosodium (IND)
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