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CAS No.: | 81-46-9 |
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Name: | 1-AMINO-4-BENZAMIDOANTHRAQUINONE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C21H14 N2 O3 |
Molecular Weight: | 342.354 |
Synonyms: | Anthraquinone,1-amino-4-benzamido- (6CI,7CI);Benzamide, N-(4-amino-1-anthraquinonyl)- (8CI);1-Amino-4-(benzoylamino)anthraquinone;1-Amino-4-benzamido-9,10-anthraquinone;1-Amino-4-benzamidoanthraquinone;4-Amino-1-benzoylaminoanthraquinone;CorinthFlour;NSC 13982; |
EINECS: | 201-351-4 |
Density: | 1.425g/cm3 |
Boiling Point: | 531.4°C at 760 mmHg |
Flash Point: | 275.2°C |
Safety: | An eye irritant. When heated to decomposition it emits toxic fumes of NOx. See also AMIDES. |
PSA: | 89.26000 |
LogP: | 3.95070 |
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Reported in EPA TSCA Inventory.
The N-(4-Aminoanthraquinonyl)Benzamide, with the cas register number 81-46-9, has its IUPAC name of N-(4-amino-9,10-dioxoanthracen-1-yl)benzamide. And its product categories are including Intermediates of Dyes and Pigments. This chemical is usually used as the intermediate for vat dye. When store it, keep it in the dry, cool and well-ventilated storeroom.
The characteristics of this chemical are as below: (1)XLogP3-AA: 4.1; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 16; (6)Exact Mass: 342.100442; (7)MonoIsotopic Mass: 342.100442; (8)Topological Polar Surface Area: 89.3; (9)Heavy Atom Count: 26; (10)Complexity: 584; (11)Covalently-Bonded Unit Count: 1; (11)Density: 1.425 g/cm3; (12)Flash Point: 275.2 °C; (13)Boiling Point: 531.4 °C at 760 mmHg; (14)Vapour Pressure: 2.26E-11 mmHg at 25°C; (15)Enthalpy of Vaporization: 80.69 kJ/mol.
Uses of N-(4-Aminoanthraquinonyl)Benzamide: N-(4-Aminoanthraquinonyl)Benzamide could react with 4-cyanoacetyl-morpholine to produce N-(1-cyano-2-morpholin-4-yl-7-oxo-7H-naphtho[1,2,3-de]quinolin-6-yl)-benzamide. The reaction condition is below: reagent: POCL3; solution: dioxane; reaction time: 4 hours; reaction temp.: 75-80 ℃; field: 70%.
The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
(2)InChI: InChI=1S/C21H14N2O3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19
(24)13-8-4-5-9-14(13)20(18)25/h1-11H,22H2,(H,23,26)
(3)InChIKey: PXNNPGGYHAWDJW-UHFFFAOYSA-N