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9,10-Anthracenedione,1-[(2-hydroxyethyl)amino]-

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Name

9,10-Anthracenedione,1-[(2-hydroxyethyl)amino]-

EINECS 224-731-1
CAS No. 4465-58-1 Density 1.388 g/cm3
PSA 66.40000 LogP 1.93920
Solubility 4.277mg/L(25 oC) Melting Point 168°C
Formula C16H13NO3 Boiling Point 534.1 °C at 760 mmHg
Molecular Weight 267.284 Flash Point 276.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4465-58-1 (1-[(2-hydroxyethyl)amino]anthraquinone) Hazard Symbols N/A
Synonyms

1-[(2-hydroxyethyl)amino]anthraquinone;Solvent Red 222;Red LB;Red 222;1-(2-Hydroxyethylamino)-9,10-anthraquinone;1-[(2-Hydroxyethyl)amino]-9,10-anthracenedione;1-[(2-Hydroxyethyl)amino]-9,10-anthraquinone;C.I.60507

Article Data 16

9,10-Anthracenedione,1-[(2-hydroxyethyl)amino]- Specification

The 9,10-Anthracenedione,1-[(2-hydroxyethyl)amino]-, with the CAS registry number 4465-58-1, is also known as 1-[(2-Hydroxyethyl)amino]anthraquinone. This chemical's molecular formula is C16H13NO3 and molecular weight is 267.28. What's more, its systematic name is 1-[(2-Hydroxyethyl)amino]anthracene-9,10-dione and its EINECS number is 224-731-1.

Physical properties of 9,10-Anthracenedione,1-[(2-hydroxyethyl)amino]- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.02; (6)ACD/BCF (pH 7.4): 19.03; (7)ACD/KOC (pH 5.5): 286.6; (8)ACD/KOC (pH 7.4): 286.66; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 74.44 cm3; (15)Molar Volume: 192.5 cm3; (16)Polarizability: 29.51×10-24 cm3; (17)Surface Tension: 70.7 dyne/cm; (18)Density: 1.388 g/cm3; (19)Flash Point: 276.8 °C; (20)Enthalpy of Vaporization: 85.29 kJ/mol; (21)Boiling Point: 534.1 °C at 760 mmHg; (22)Vapour Pressure: 3.07E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-ethanol and 1-chloro-anthraquinone by heating. This reaction will need reagent butan-1-ol. After the reaction time of 3 hours, the yield is about 75%.

9,10-Anthracenedione,1-[(2-hydroxyethyl)amino]- can be prepared by 2-amino-ethanol and 1-chloro-anthraquinone by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCO
(2)InChI: InChI=1S/C16H13NO3/c18-9-8-17-13-7-3-6-12-14(13)16(20)11-5-2-1-4-10(11)15(12)19/h1-7,17-18H,8-9H2
(3)InChIKey: DQIHOZJLTDMMSG-UHFFFAOYSA-N

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