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| CAS No.: | 66532-85-2 |
|---|---|
| Name: | Propacetamol |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C14H20N2O3 |
| Molecular Weight: | 264.324 |
| Synonyms: | 4-Acetamidophenyl(diethylamino)acetate;Propacetamol;Proparacetamol; |
| EINECS: | 266-390-1 |
| Density: | 1.132 g/cm3 |
| Melting Point: | 55-57 °C |
| Boiling Point: | 434.457 °C at 760 mmHg |
| Flash Point: | 216.552 °C |
| Appearance: | White or sub-category of white powder |
| Hazard Symbols: |
 F, Xn
|
| Risk Codes: | R11; R20/21/22 |
| PSA: | 58.64000 |
| LogP: | 1.96520 |
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Specification
The Glycine, N,N-diethyl-,4-(acetylamino)phenyl ester, with CAS registry number 66532-85-2, has the systematic name of 4-(acetylamino)phenyl N,N-diethylglycinate. Besides this, it is also called Propacetamol. And the chemical formula of this chemical is C14H20N2O3. What's more, its EINECS is 266-390-1.
Physical properties of Glycine, N,N-diethyl-,4-(acetylamino)phenyl ester: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.67; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 29.81; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 74.11 cm3; (15)Molar Volume: 233.4 cm3; (16)Polarizability: 29.38×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 216.6 °C; (20)Enthalpy of Vaporization: 69.06 kJ/mol; (21)Boiling Point: 434.5 °C at 760 mmHg; (22)Vapour Pressure: 9.46E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)NC(=O)C)CN(CC)CC
(2)InChI: InChI=1/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)
(3)InChIKey: QTGAJCQTLIRCFL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)
(5)Std. InChIKey: QTGAJCQTLIRCFL-UHFFFAOYSA-N