Disperse Blue 359

CAT: 0024-sc-493237Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-493237Size:1 g

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CAS Number

62570-50-7

Chemical Information

2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-

CAS Number	62570-50-7
PubChem CID	112865
IUPAC Name	1-amino-4-(ethylamino)-9,10-dioxoanthracene-2-carbonitrile
Molecular Formula	C17H13N3O2
Molecular Weight	291.30
XLogP	3.4
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	523

SMILES

CCNC1=C2C(=C(C(=C1)C#N)N)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H13N3O2/c1-2-20-12-7-9(8-18)15(19)14-13(12)16(21)10-5-3-4-6-11(10)17(14)22/h3-7,20H,2,19H2,1H3

InChIKey

ATXPWKWYLDEURI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62570-50-7

CID: 112865

Formula: C17H13N3O2

MW: 291.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.30
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	291.100776666
Monoisotopic Mass	291.100776666
Topological Polar Surface Area	96 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	523
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-214916	Disperse Blue 1
sc-214917	Disperse Blue 14
sc-497250A	Disperse Blue 106
sc-497249B	Disperse Polyester Dark Blue
sc-497249C	Disperse Polyester Dark Blue