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1096-48-6

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Basic Information
CAS No.: 1096-48-6
Name: 1-(cyclohexylaminoanthraquinone)
Article Data: 11
Molecular Structure:
Molecular Structure of 1096-48-6 (1-(cyclohexylaminoanthraquinone))
Formula: C20H19NO2
Molecular Weight: 305.376
Synonyms: Anthraquinone,1-(cyclohexylamino)- (7CI,8CI);1-(Cyclohexylamino)anthraquinone;1-(Cyclohexylamino)anthracene-9,10-dione;1-Cyclohexylamino-anthraquinone;1-(Cyclohexylamino)anthra-9,10-quinone;
EINECS: 214-143-3
Density: 1.266 g/cm3
Boiling Point: 526.1 ºC at 760 mmHg
Flash Point: 193.7 ºC
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Specification

The 9,10-Anthracenedione,1-(cyclohexylamino)-, with the CAS registry number 1096-48-6, is also known as 1-Cyclohexylamino-anthraquinone. This chemical's molecular formula is C20H19NO2 and molecular weight is 305.37. What's more, its systematic name is 1-(Cyclohexylamino)anthracene-9,10-dione and its EINECS number is 214-143-3.

Physical properties of 9,10-Anthracenedione,1-(cyclohexylamino)- are: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 4.82; (5)ACD/BCF (pH 5.5): 2709.17; (6)ACD/BCF (pH 7.4): 2715.54; (7)ACD/KOC (pH 5.5): 9966.13; (8)ACD/KOC (pH 7.4): 9989.54; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 89.31 cm3; (15)Molar Volume: 241 cm3; (16)Polarizability: 35.4×10-24 cm3; (17)Surface Tension: 59.7 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 193.7 °C; (20)Enthalpy of Vaporization: 80.04 kJ/mol; (21)Boiling Point: 526.1 °C at 760 mmHg; (22)Vapour Pressure: 3.69E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c2c(c(NC1CCCCC1)ccc2)C(=O)c4ccccc34
(2)InChI: InChI=1S/C20H19NO2/c22-19-14-9-4-5-10-15(14)20(23)18-16(19)11-6-12-17(18)21-13-7-2-1-3-8-13/h4-6,9-13,21H,1-3,7-8H2
(3)InChIKey: BWQIGAJDKXZJTG-UHFFFAOYSA-N