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JFD00244

CAT: 0926-WDA96983-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WDA96983-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96969-83-4
MDL Number
MFCD00208443
Smiles
C1=CC=C2C (=C1) C (=O) C3=C (C=CC (=C3C2=O) NCCC4=CC=C (C=C4) O) NCCC5=CC=C (C=C5) O
Molecular Formula
C30H26N2O4
Molecular Weight
478.54 g/mol
Controlled
No

Chemical Information

Jfd00244

1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dione is an anthraquinone.

CAS Number96969-83-4
PubChem CID2817242
IUPAC Name1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dione
Molecular FormulaC30H26N2O4
Molecular Weight478.5
XLogP7.1
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity681
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCC4=CC=C(C=C4)O)NCCC5=CC=C(C=C5)O
InChI
InChI=1S/C30H26N2O4/c33-21-9-5-19(6-10-21)15-17-31-25-13-14-26(32-18-16-20-7-11-22(34)12-8-20)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-14,31-34H,15-18H2
InChIKey
UUJHFIBEJJLZBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jfd00244
CAS: 96969-83-4
CID: 2817242
Formula: C30H26N2O4
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP37.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass478.18925731
Monoisotopic Mass478.18925731
Topological Polar Surface Area98.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity681
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

Alternative Products

CatalogName
C5180-5JFD00244
A19517-1JFD00244 1mg
A19517-50JFD00244 50mg
A19517-10JFD00244 10mg
A19517-5JFD00244 5mg
A19517-100JFD00244 100mg
A19517-25JFD00244 25mg

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