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71838-87-4

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Basic Information
CAS No.: 71838-87-4
Name: Disperse Yellow 184
Molecular Structure:
Molecular Structure of 71838-87-4 (Disperse Yellow 184)
Formula: C21H20N2O3
Molecular Weight: 348.4
Synonyms: 7-(Diethylamino)-3-(4-methyl-1,3-benzoxazol-2-yl)chromen-2-one;
Density: 1.259 g/cm3
Boiling Point: 561.7 °C at 760 mmHg
Flash Point: 293.5 °C
PSA: 59.48000
LogP: 4.75580
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Specification

The Disperse Yellow 184, with the CAS registry number 71838-87-4, is also known as 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(4-methyl-2-benzoxazolyl)-. This chemical's molecular formula is C21H20N2O3 and molecular weight is 348.4. What's more, its systematic name is called 7-(Diethylamino)-3-(4-methyl-1,3-benzoxazol-2-yl)chromen-2-one.

Physical properties about Disperse Yellow 184 are: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.94; (4)ACD/LogD (pH 7.4): 5.94; (5)ACD/BCF (pH 5.5): 19234.84; (6)ACD/BCF (pH 7.4): 19263.82; (7)ACD/KOC (pH 5.5): 40546.12; (8)ACD/KOC (pH 7.4): 40607.2; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.57 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 100.84 cm3; (15)Molar Volume: 276.6 cm3; (16)Surface Tension: 55.3 dyne/cm; (17)Density: 1.259 g/cm3; (18)Flash Point: 293.5 °C; (19)Enthalpy of Vaporization: 84.46 kJ/mol; (20)Boiling Point: 561.7 °C at 760 mmHg; (21)Vapour Pressure: 1.21E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCN(CC)c1ccc2cc(c(=O)oc2c1)c3nc4c(cccc4o3)C
(2) InChI: InChI=1/C21H20N2O3/c1-4-23(5-2)15-10-9-14-11-16(21(24)26-18(14)12-15)20-22-19-13(3)7-6-8-17(19)25-20/h6-12H,4-5H2,1-3H3
(3) InChIKey: GBRZECSNJCRTSN-UHFFFAOYAT