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6505-28-8

Basic Information
CAS No.: 6505-28-8
Name: Pigment Orange 16
Molecular Structure:
Molecular Structure of 6505-28-8 (Pigment Orange 16)
Formula: C34H32N6O6
Molecular Weight: 620.65
Synonyms: Butanamide,2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenyl-(9CI);C.I. 21160;C.I. Pigment Orange 16;Dainichi Fast Orange GR;DianeOrange Y 25;Dianisidine Orange 10406;Florida orange;Isol Benzidine OrangeGX;Isol Benzidine Orange R;Madras Toner X 1843;Pigment Orange 16;PigmentOrange 3A;Pigment Orange 3AY;Sanyo Fast Orange R;Seikafast Orange 2900;Symuler Fast Orange K;Symuler Fast Orange V;
EINECS: 229-388-1
Density: 1.26 g/cm3
Boiling Point: 810.2 °C at 760 mmHg
Flash Point: 443.8 °C
PSA: 160.24000
LogP: 6.87680
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Specification

This chemical is called Butanamide, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(3-oxo-N-phenyl-, and its CAS registry number is 6505-28-8. With the molecular formula of C34H32N6O6, its molecular weight is 620.65. Additionally, its product category is Organics.  

Other characteristics of the Butanamide, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(3-oxo-N-phenyl- can be summarised as followings: (1)ACD/LogP: 8.85; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 7.95; (4)ACD/LogD (pH 7.4): 5.68; (5)ACD/BCF (pH 5.5): 393491.56; (6)ACD/BCF (pH 7.4): 2145.79; (7)ACD/KOC (pH 5.5): 195552.81; (8)ACD/KOC (pH 7.4): 1066.39; (9)#H bond acceptors: 12; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 142.66 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 172.82 cm3; (15)Molar Volume: 491.5 cm3; (16)Polarizability: 68.51×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 443.8 °C; (20)Enthalpy of Vaporization: 117.78 kJ/mol; (21)Boiling Point: 810.2 °C at 760 mmHg; (22)Vapour Pressure: 2.63E-26 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)C(/N=N/c3ccc(c2cc(OC)c(/N=N/C(C(=O)C)C(=O)Nc1ccccc1)cc2)cc3OC)C(=O)Nc4ccccc4
2.InChI: InChI=1/C34H32N6O6/c1-21(41)31(33(43)35-25-11-7-5-8-12-25)39-37-27-17-15-23(19-29(27)45-3)24-16-18-28(30(20-24)46-4)38-40-32(22(2)42)34(44)36-26-13-9-6-10-14-26/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)/b39-37+,40-38+
3.InChIKey: DMPXHEMGDYKSFL-HVMBLDELBV