Basic Information | Post buying leads | Suppliers |
Name |
1-Amino-5-benzoylaminoanthraquinone |
EINECS | 204-169-3 |
CAS No. | 117-06-6 | Density | 1.425g/cm3 |
PSA | 89.26000 | LogP | 3.95070 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H14N2O3 | Boiling Point | 535.2 °C at 760 mmHg |
Molecular Weight | 342.354 | Flash Point | 277.5 °C |
Transport Information | N/A | Appearance | white crystalline and tastes slightly bitter and astringent |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Anthraquinone,1-amino-5-benzamido- (6CI,7CI);Benzamide, N-(5-amino-1-anthraquinonyl)- (8CI);1-Amino-5-benzamido-9,10-anthraquinone;1-Amino-5-benzamidoanthraquinone;1-Amino-5-benzoylaminoanthraquinone;1-Benzamido-5-amino-9,10-anthraquinone;1-Benzamido-5-aminoanthraquinone;5-Benzamido-1-aminoanthraquinone;NSC 13981; |
The 1-Amino-5-benzoylaminoanthraquinone, with cas registry number 117-06-6, has the systematic name of N-(5-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide. Its IUPAC name is the same one. Besides this, it is also called benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-.
Physical properties about this chemical are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 419.78; (6)ACD/BCF (pH 7.4): 419.77; (7)ACD/KOC (pH 5.5): 2625.19; (8)ACD/KOC (pH 7.4): 2625.17; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.69 Å2; (13)Index of Refraction: 1.746; (14)Molar Refractivity: 97.48 cm3; (15)Molar Volume: 240.2 cm3; (16)Polarizability: 38.64×10-24cm3; (17)Surface Tension: 75.6 dyne/cm; (18)Enthalpy of Vaporization: 81.15 kJ/mol; (19)Vapour Pressure: 1.58E-11 mmHg at 25°C.
Uses of 1-Amino-5-benzoylaminoanthraquinone: it can be used to produce 1-Amino-5-benzoylamino-2,4-dibromo-9,10-anthraquinone. This reaction will need reagent Bromine and H2O. The reaction time is 6 hour(s) with reaction temperature of 75 ℃. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cccc1N)C(=O)c3c2cccc3NC(=O)c4ccccc4
(2)InChI: InChI=1/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)
(3)InChIKey: FWEQPMZEKHHFTB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)
(5)Std. InChIKey: FWEQPMZEKHHFTB-UHFFFAOYSA-N