Molecule structure of Acetamide, N-acetyl-N-(4,5-diphenyl-2-oxazolyl)- (CAS NO.35629-40-4):
IUPAC Name: N-Acetyl-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide
Molecular Weight: 320.34194 g/mol
Molecular Formula: C19H16N2O3
Density: 1.226 g/cm3
Boiling Point: 453.9 °C at 760 mmHg
Flash Point: 228.3 °C
Index of Refraction: 1.6
Molar Refractivity: 89.46 cm3
Molar Volume: 261.2 cm3
Polarizability: 35.46×10-24 cm3
Surface Tension: 49.7 dyne/cm
Enthalpy of Vaporization: 71.34 kJ/mol
Vapour Pressure: 1.98E-08 mmHg at 25 °C
XLogP3-AA: 3.1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Exact Mass: 320.116092
MonoIsotopic Mass: 320.116092
Topological Polar Surface Area: 63.4
Heavy Atom Count: 24
Complexity: 442
Canonical SMILES: CC(=O)N(C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C
InChI: InChI=1S/C19H16N2O3/c1-13(22)21(14(2)23)19-20-17(15-9-5-3-6-10-15)18(24-19)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKey: SQFIORDXMAQZNW-UHFFFAOYSA-N
1. | orl-mus LD50:1600 mg/kg | JMCMAR Journal of Medicinal Chemistry. 14 (1971),1075. | ||
2. | ipr-mus LD50:400 mg/kg | JMCMAR Journal of Medicinal Chemistry. 14 (1971),1075. |
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Acetamide, N-acetyl-N-(4,5-diphenyl-2-oxazolyl)- (CAS NO.35629-40-4) is also named as BRN 1018823 ; Diacetamide, N-(4,5-diphenyl-2-oxazolyl)- . Acetamide, N-acetyl-N-(4,5-diphenyl-2-oxazolyl)- (CAS NO.35629-40-4) is highly toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.
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