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CAS No.: | 12769-17-4 |
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Name: | Solvent Blue 35 |
Molecular Structure: | |
Formula: | C22H26N2O2 |
Molecular Weight: | 350.454040 |
Synonyms: | Anthraquinone, 1,4-bis(butylamino)-; |
EINECS: | 241-379-4 |
Density: | 1.179 g/cm3 |
Boiling Point: | 568.7 °C at 760 mmHg |
Flash Point: | 187.2 °C |
The Solvent Blue 35, with the CAS registry number of 12769-17-4, is also known as Anthraquinone, 1,4-bis(butylamino)-. This chemical's molecular formula is C22H26N2O2 and molecular weight is 350.454040. What's more, its IUPAC name is 1,4-Bis(butylamino)anthracene-9,10-dione.
Physical properties about the Solvent Blue 35 are: (1)ACD/LogP: 4.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 40.62 Å2; (7)Index of Refraction: 1.63; (8)Molar Refractivity: 105.68 cm3; (9)Molar Volume: 297 cm3; (10)Surface Tension: 54.8 dyne/cm; (11)Density: 1.179 g/cm3; (12)Flash Point: 187.2 °C; (13)Enthalpy of Vaporization: 85.35 kJ/mol; (14)Boiling Point: 568.7 °C at 760 mmHg; (15)Vapour Pressure: 5.97E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1C(=O)c3c2c(ccc3NCCCC)NCCCC
(2) InChI: InChI=1/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3
(3) InChIKey: OCQDPIXQTSYZJL-UHFFFAOYAW