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2646-15-3

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Basic Information
CAS No.: 2646-15-3
Name: OIL BLUE N
Article Data: 1
Molecular Structure:
Molecular Structure of 2646-15-3 (OIL BLUE N)
Formula: C24H30N2O2
Molecular Weight: 378.514
Synonyms: Anthraquinone,1,4-bis(pentylamino)- (7CI,8CI);C.I. 61555;C.I. Solvent Blue 14;Ext D and CBlue No. 5;Miketon Fast Blue Extra;NSC 326210;Oil Blue BA;Oil Blue N;Solvent Blue 14;1,4-Bis(pentylamino)anthracene-9,10-dione;1,4-Bis(Pentylamino)-9,10-anthracenedione;1,4-Bis(pentylamino)-9,10-anthraquinone;
EINECS: 220-161-2
Density: 1.146 g/cm3
Melting Point: 210 °C
Boiling Point: 586 °C at 760 mmHg
Flash Point: 179.9 °C
Appearance: Purple powder
Hazard Symbols: Xi
Risk Codes: 36/38
Safety: 24/25
PSA: 58.20000
LogP: 5.81220
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Specification

The 9,10-Anthracenedione,1,4-bis(pentylamino)-, with the CAS registry number 2646-15-3, is also known as 1,4-Bis(Pentylamino)-9,10-anthracenedione. This chemical's molecular formula is C24H30N2O2 and molecular weight is 378.51. What's more, its systematic name is 1,4-Bis(pentylamino)anthracene-9,10-dione and its EINECS number is 220-161-2. The product is stable and combustible but it is incompatible with strong oxidizing agents. This chemical needs to be sealed and stored in cool and dry places. Besides, when using it, you should avoid contact with skin and eyes.

Physical properties of 9,10-Anthracenedione,1,4-bis(pentylamino)- are: (1)ACD/LogP: 5.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.68; (4)ACD/LogD (pH 7.4): 5.98; (5)ACD/BCF (pH 5.5): 10383.85; (6)ACD/BCF (pH 7.4): 20708.94; (7)ACD/KOC (pH 5.5): 21365.47; (8)ACD/KOC (pH 7.4): 42610.03; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 114.95 cm3; (15)Molar Volume: 330 cm3; (16)Polarizability: 45.56×10-24 cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.146 g/cm3; (19)Flash Point: 179.9 °C; (20)Enthalpy of Vaporization: 87.52 kJ/mol; (21)Boiling Point: 586 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCNC1=C2C(=C(C=C1)NCCCCC)C(=O)C3=CC=CC=C3C2=O
(2)InChI: InChI=1S/C24H30N2O2/c1-3-5-9-15-25-19-13-14-20(26-16-10-6-4-2)22-21(19)23(27)17-11-7-8-12-18(17)24(22)28/h7-8,11-14,25-26H,3-6,9-10,15-16H2,1-2H3
(3)InChIKey: RHGBRYSELHPAFL-UHFFFAOYSA-N