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| CAS No.: | 5331-48-6 |
|---|---|
| Name: | N-(N-PROPYL)ACETAMIDE |
| Molecular Structure: | |
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| Formula: | C5H11NO |
| Molecular Weight: | 101.148 |
| Synonyms: | N-(N-PROPYL)ACETAMIDE;Acetamide, N-n-propyl-,;Acetamide, N-propyl-;N-Propylacetamide;N-(n-Propyl)acetamide,98%;Inchi=1/C5H11no/C1-3-4-6-5(2)7/H3-4H2,1-2H3,(H,6,7 |
| EINECS: | 226-231-9 |
| Density: | 0.864 g/cm3 |
| Boiling Point: | 210.8 °C at 760 mmHg |
| Flash Point: | 108.3 °C |
| Safety: | 24/25 |
| PSA: | 29.10000 |
| LogP: | 0.92340 |
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Specification
The Acetamide, N-propyl-, with CAS registry number 5331-48-6, has the systematic name of N-propylacetamide. Besides this, it is also called N-(N-Propyl)acetamide. And the chemical formula of this chemical is C5H11NO. When use this chemical, please avoid contact with skin and eyes.
Physical properties of Acetamide, N-propyl-: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.21; (8)ACD/KOC (pH 7.4): 24.21; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.407; (14)Molar Refractivity: 28.83 cm3; (15)Molar Volume: 117 cm3; (16)Polarizability: 11.43×10-24cm3; (17)Surface Tension: 25.9 dyne/cm; (18)Density: 0.864 g/cm3; (19)Flash Point: 108.3 °C; (20)Enthalpy of Vaporization: 44.7 kJ/mol; (21)Boiling Point: 210.8 °C at 760 mmHg; (22)Vapour Pressure: 0.189 mmHg at 25°C.
Preparation: this chemical can be prepared by propylamine and 1,1,1-trichloro-propan-2-one. This reaction will need solvent hexane. The reaction temperature is 25 ℃. The yield is about 85%.
Uses of Acetamide, N-propyl-: it can be used to produce acetyl-propionyl-amine. This reaction will need reagents RuO2.xH2O, 10% aq. NaIO4 and solvent H2O. The reaction time is 120 hour(s). The yield is about 45%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCC)C
(2)InChI: InChI=1/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)
(3)InChIKey: IHPHPGLJYCDONF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)
(5)Std. InChIKey: IHPHPGLJYCDONF-UHFFFAOYSA-N