9,10-Anthracenedione,1,4-bis(pentylamino)- supplier

Name
OIL BLUE N
EINECS 220-161-2
CAS No. 2646-15-3
Article Data1
CAS DataBase
Density 1.146 g/cm³
Solubility
Melting Point 210 °C
Formula C₂₄H₃₀N₂O₂
Boiling Point 586 °C at 760 mmHg
Molecular Weight 378.514
Flash Point 179.9 °C
Transport Information
Appearance Purple powder
Safety 24/25
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 58.20000
LogP 5.81220

9,10-Anthracenedione,1,4-bis(pentylamino)- 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^-24cm³; (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

Product Name

OIL BLUE N

9,10-Anthracenedione,1,4-bis(pentylamino)- Specification

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