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Disperse Blue 359

CAT: 0572-TRC-D494833-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494833-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62570-50-7
Hazard Statement
No Data Available
Smiles
CCNC1=C2C(=C(C(=C1)C#N)N)C(=O)C3=CC=CC=C3C2=O
Molecular Formula
C17H13N3O2
Molecular Weight
291.31
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-
CAS Number62570-50-7
PubChem CID112865
IUPAC Name1-amino-4-(ethylamino)-9,10-dioxoanthracene-2-carbonitrile
Molecular FormulaC17H13N3O2
Molecular Weight291.30
XLogP3.4
Topological Polar Surface Area96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity523
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
2D structure of 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-
CAS: 62570-50-7
CID: 112865
Formula: C17H13N3O2
MW: 291.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.30
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass291.100776666
Monoisotopic Mass291.100776666
Topological Polar Surface Area96 Ų
Heavy Atom Count22
Formal Charge0
Complexity523
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

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