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Disperse Blue 291 CAS NO.83929-84-4
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- 83929-84-4
- 83929-84-4
- 83929-84-4
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- ProName: Disperse Blue 291
- CasNo: 83929-84-4
- Application: Molecule structure of Disperse Blue 29...
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Molecule structure of Disperse Blue 291 (CAS NO.83929-84-4):
IUPAC Name: N-[2-(2-Bromo-4,6-dinitrophenyl)diazenyl-5-(diethylamino)-4-methoxyphenyl]acetamide
Molecular Weight: 509.31064 g/mol
Molecular Formula: C19H21BrN6O6
Density: 1.54 g/cm3
Boiling Point: 700.4 °C at 760 mmHg
Flash Point: 377.4 °C
Index of Refraction: 1.638
Molar Refractivity: 118.5 cm3
Molar Volume: 329.6 cm3
Surface Tension: 55.8 dyne/cm
Enthalpy of Vaporization: 102.53 kJ/mol
Vapour Pressure: 1.82E-19 mmHg at 25 °C
XLogP3-AA: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 9
Rotatable Bond Count: 7
Tautomer Count: 4
Exact Mass: 508.070595
MonoIsotopic Mass: 508.070595
Topological Polar Surface Area: 153
Heavy Atom Count: 32
Canonical SMILES: CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC
InChI: InChI=1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)
InChIKey: QRKGKRSGMAWUMO-UHFFFAOYSA-N
EINECS: 260-255-0
Product Categories: Organics
Details
Molecule structure of Disperse Blue 291 (CAS NO.83929-84-4):
IUPAC Name: N-[2-(2-Bromo-4,6-dinitrophenyl)diazenyl-5-(diethylamino)-4-methoxyphenyl]acetamide
Molecular Weight: 509.31064 g/mol
Molecular Formula: C19H21BrN6O6
Density: 1.54 g/cm3
Boiling Point: 700.4 °C at 760 mmHg
Flash Point: 377.4 °C
Index of Refraction: 1.638
Molar Refractivity: 118.5 cm3
Molar Volume: 329.6 cm3
Surface Tension: 55.8 dyne/cm
Enthalpy of Vaporization: 102.53 kJ/mol
Vapour Pressure: 1.82E-19 mmHg at 25 °C
XLogP3-AA: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 9
Rotatable Bond Count: 7
Tautomer Count: 4
Exact Mass: 508.070595
MonoIsotopic Mass: 508.070595
Topological Polar Surface Area: 153
Heavy Atom Count: 32
Canonical SMILES: CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC
InChI: InChI=1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)
InChIKey: QRKGKRSGMAWUMO-UHFFFAOYSA-N
EINECS: 260-255-0
Product Categories: Organics