IUPAC Name: N-(2,6-Dimethylphenyl)-2-(2-hydroxy-5-oxopyrrolidin-1-yl)acetamide
Synonyms of N-(2,6-Dimethylphenyl)-2-hydroxy-5-oxo-1-pyrrolidineacetamide (CAS NO.131147-89-2): 1-Pyrrolidineacetamide, N-(2,6-dimethylphenyl)-2-hydroxy-5-oxo-
InChI: InChI=1/C14H18N2O3/c1-9-4-3-5-10(2)14(9)15-11(17)8-16-12(18)6-7-13(16)19/h3-5,12,18H,6-8H2,1-2H3,(H,15,17)
InChIKey: XUFRCTDPSIOVEJ-UHFFFAOYAZ
Std. InChI: InChI=1S/C14H18N2O3/c1-9-4-3-5-10(2)14(9)15-11(17)8-16-12(18)6-7-13(16)19/h3-5,12,18H,6-8H2,1-2H3,(H,15,17)
Std. InChIKey: XUFRCTDPSIOVEJ-UHFFFAOYSA-N
CAS NO: 131147-89-2
Molecular Formula: C14H18N2O3
Molecular Weight: 262.3043
Molecular Structure :
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 49.85 Å2
Index of Refraction: 1.621
Molar Refractivity: 71.92 cm3
Molar Volume: 204.3 cm3
Surface Tension: 60.9 dyne/cm
Density: 1.283 g/cm3
Flash Point: 263.1 °C
Enthalpy of Vaporization: 82.38 kJ/mol
Boiling Point: 511.4 °C at 760 mmHg
Vapour Pressure: 2.77E-11 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | > 200mg/kg (200mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 211, 1994. |
A poison by intravenous route. When N-(2,6-Dimethylphenyl)-2-hydroxy-5-oxo-1-pyrrolidineacetamide (CAS NO.131147-89-2) is heated to decomposition, it emits toxic vapors of NOx.
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