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| CAS No.: | 56766-13-3 |
|---|---|
| Name: | 4-Carbamonyl-N-acetoacetanilide |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H12N2O3 |
| Molecular Weight: | 220.23 |
| Synonyms: | Acetoacetanilide,4'-carbamoyl- (7CI);4-(Acetoacetamido)benzamide; |
| Density: | 1.006 g/cm3 |
| Boiling Point: | 466.5 °C at 760 mmHg |
| Flash Point: | 147.3 °C |
| PSA: | 89.26000 |
| LogP: | 1.47640 |
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Specification
The 4-Carbamonyl-N-acetoacetanilide, with CAS registry number 56766-13-3, has the synonym of undecanamide, 2-acetyl-N-phenyl-. Besides this, it is also called 4-[(1,3-dioxobutyl)amino]-Benzamide. And the chemical formula of this chemical is C11H12N2O3.
Physical properties of 4-Carbamonyl-N-acetoacetanilide: (1)ACD/LogP: 5.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.45; (4)ACD/LogD (pH 7.4): 5.45; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 46.17 Å2; (9)Index of Refraction: 1.518; (10)Molar Refractivity: 91.47 cm3; (11)Molar Volume: 301.5 cm3; (12)Polarizability: 36.26×10-24cm3; (13)Surface Tension: 38.4 dyne/cm; (14)Enthalpy of Vaporization: 72.83 kJ/mol; (15)Vapour Pressure: 7.02E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCC(C(=O)C)C(=O)Nc1ccccc1
(2)InChI: InChI=1/C19H29NO2/c1-3-4-5-6-7-8-12-15-18(16(2)21)19(22)20-17-13-10-9-11-14-17/h9-11,13-14,18H,3-8,12,15H2,1-2H3,(H,20,22)
(3)InChIKey: VEYFKWQWJJDRSS-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C19H29NO2/c1-3-4-5-6-7-8-12-15-18(16(2)21)19(22)20-17-13-10-9-11-14-17/h9-11,13-14,18H,3-8,12,15H2,1-2H3,(H,20,22)
(5)Std. InChIKey: VEYFKWQWJJDRSS-UHFFFAOYSA-N