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CAS No.: | 24309-97-5 |
---|---|
Name: | N-(2-hydroxyethyl)acetoacetamide |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H11NO3 |
Molecular Weight: | 145.158 |
Synonyms: | Acetoacetamide,N-(2-hydroxyethyl)- (8CI);N-(2-Hydroxyethyl)acetoacetamide;b-(N-Acetoacetylamino)ethanol; |
EINECS: | 246-149-7 |
Density: | 1.132 g/cm3 |
Melting Point: | 104-106 °C |
Boiling Point: | 373.7 °C at 760 mmHg |
Flash Point: | 179.8 °C |
Appearance: | Yellow to brownisch solidifed melt |
PSA: | 66.40000 |
LogP: | -0.53510 |
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The Butanamide,N-(2-hydroxyethyl)-3-oxo-, with the CAS registry number 24309-97-5, is also known as 2-Hydroxyethyl 1,3-diketobutyl amine. Its EINECS registry number is 246-149-7. This chemical's molecular formula is C6H11NO3 and molecular weight is 145.1564. It is yellow to brownisch solidifed melt. What's more, both its IUPAC name and systematic name are the same which is called N-(2-Hydroxyethyl)-3-oxobutanamide. In addition, this chemical is used as intermediate for the syntheses of different organic chemicals, e.g. Quinoxaline derivatives.
Physical properties about Butanamide,N-(2-hydroxyethyl)-3-oxo- are: (1)ACD/LogP: -1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.33; (8)ACD/KOC (pH 7.4): 2.32; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 35.03 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 13.88×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 179.8 °C; (20)Enthalpy of Vaporization: 71.85 kJ/mol; (21)Boiling Point: 373.7 °C at 760 mmHg; (22)Vapour Pressure: 4.11E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CC(=O)NCCO)C
(2) InChI: InChI=1/C6H11NO3/c1-5(9)4-6(10)7-2-3-8/h8H,2-4H2,1H3,(H,7,10)
(3) InChIKey: CYLHYHWFVOHKMK-UHFFFAOYAT