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Molecule structure of N-Acetoxy-N-(4-stilbenyl)-acetamide (CAS NO.26594-44-5):
IUPAC Name: [N-Acetyl-4-(2-phenylethenyl)anilino] acetate
Molecular Weight: 295.33248 g/mol
Molecular Formula: C18H17NO3
Density: 1.209 g/cm3
Boiling Point: 438 °C at 760 mmHg
Flash Point: 218.7 °C
Index of Refraction: 1.649
Molar Refractivity: 89.03 cm3
Molar Volume: 244.2 cm3
Polarizability: 35.29×10-24 cm3
Surface Tension: 51.1 dyne/cm
Enthalpy of Vaporization: 69.47 kJ/mol
Vapour Pressure: 7.15E-08 mmHg at 25 °C
XLogP3-AA: 3.6
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Exact Mass: 295.120843
MonoIsotopic Mass: 295.120843
Topological Polar Surface Area: 46.6
Heavy Atom Count: 22
Complexity: 405
Canonical SMILES: CC(=O)N(C1=CC=C(C=C1)C=CC2=CC=CC=C2)OC(=O)C
InChI: InChI=1S/C18H17NO3/c1-14(20)19(22-15(2)21)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKey: DQOBUTWTHQJLSG-UHFFFAOYSA-N
1. | mmo-sat 5 µg/plate | CBINA8 Chemico-Biological Interactions. 26 (1979),11. | ||
2. | dns-hmn:fbr 10 µg/L/5H | IJCNAW International Journal of Cancer. 16 (1975),284. | ||
3. | dns-hmn:hlas 100 nmol/L | CNREA8 Cancer Research. 38 (1978),2621. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits highly toxic fumes of NOx.
N-Acetoxy-N-(4-stilbenyl)-acetamide (CAS NO.26594-44-5) is also named as Acetic acid, (N-acetyl-N-(p-styrylphenyl)amino) ester ; Acetic acid, ester with N-(p-styrylphenyl)acetohydroxamic acid ; Acetohydroxamic acid, N-(p-styrylphenyl)-, acetate ; BRN 2751068 ; CCRIS 730 ; N,O-Diacetyl-N-(p-styrylphenyl)hydroxylamine ; N-(Acetyloxy)-N-(4-(2-phenylethenyl)phenyl)acetamide ; N-(p-Styrylphenyl)acetohydroxamic acetate ; N-(p-Styrylphenyl)acetohydroxamic acid acetate ; N-Acetoxy-4-acetamidostilbene ; N-Acetoxy-4-acetylaminostilbene . N-Acetoxy-N-(4-stilbenyl)-acetamide (CAS NO.26594-44-5) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.