Disperse Blue 1

CAT: 0024-sc-214916Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-214916Size:5 g

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CAS Number

2475-45-8

Chemical Information

Disperse Blue 1

Disperse Blue 1 can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number	2475-45-8
PubChem CID	17190
IUPAC Name	1,4,5,8-tetraaminoanthracene-9,10-dione
Molecular Formula	C14H12N4O2
Molecular Weight	268.27
XLogP	1.2
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	365

SMILES

C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N

InChI

InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2

InChIKey

JSFUMBWFPQSADC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2475-45-8

CID: 17190

Formula: C14H12N4O2

MW: 268.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.27
XLogP3	1.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	268.09602564
Monoisotopic Mass	268.09602564
Topological Polar Surface Area	138 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	365
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-214917A	Disperse Blue 14
sc-497251	Disperse Blue 102
sc-357342	Disperse Blue 60
sc-214918	Disperse blue 3
sc-497250	Disperse Blue 106
sc-493237	Disperse Blue 359
sc-214917	Disperse Blue 14
sc-497250A	Disperse Blue 106
sc-497249B	Disperse Polyester Dark Blue
sc-497249C	Disperse Polyester Dark Blue