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Home> Hot Product Listed 9   > 9,10-Anthracenedione,1,4-diamino-2,3-dihydro-

9,10-Anthracenedione,1,4-diamino-2,3-dihydro-

Iupac Name:1,4-diamino-2,3-dihydroanthracene-9,10-dione
CAS No.:81-63-0
EINECS(EC#):201-367-1
Molecular Weight:240.28
Molecular Formula:C14H12N2O2 (Products with the same molecular formula)
MOL File:81-63-0.mol
Names and Identifiers
Synonyms

Anthraquinone,1,4-diamino-2,3-dihydro- (8CI)1,4-Diamino-2,3-dihydro-9,10-anthraquinoneC.I. Solvent Violet 471,4-Diamino-2,3-dihydroanthraquinone9,10-Anthracenedione,1,4-diamino-2,3-dihydro-2,3-Dihydro-1,4-diaminoanthraquinoneNSC 23123

Inchi
InChI=1/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4H,5-6,15-16H2
InChkey
SSGALQHXKMAJTL-UHFFFAOYSA-N
Canonical Smiles
C1CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)N
Properties
Appearance
Dark greenish to brownish powder
Density
1.4 g/cm3
Melting Point
248 - 252 °C
Boiling Point
375.1 °C at 760 mmHg
Refractive Index
1.699
Flash Point
180.7 °C
Water
Soluble in hot nitro benzene
Solubilities
Soluble in hot nitro benzene
Storage temp
-20?C Freezer, Under Inert Atmosphere
Safety and Handling
Safety Statements
S22;S36/37
Specification

Dark Greenish Brown Solid
usageEng:An anthraquinone-derived dye.
Reach Info
Precursor and Product
Computational chemical data

Molecular Weight:240.25728 [g/mol]
Molecular Formula:C14H12N2O2
XLogP3-AA:1.7
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:0
Tautomer Count:15
Exact Mass:240.089878
MonoIsotopic Mass:240.089878
Topological Polar Surface Area:86.2
Heavy Atom Count:18
Formal Charge:0
Complexity:456
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
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.6
CID Conformer Count:1

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