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| CAS No.: | 762-84-5 |
|---|---|
| Name: | N-TERT-BUTYLACETAMIDE |
| Molecular Structure: | |
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| Formula: | C6H13NO |
| Molecular Weight: | 115.175 |
| Synonyms: | Acetamide,N-tert-butyl- (6CI,7CI,8CI);2-Acetamido-2-methylpropane;N-(1,1-Dimethylethyl)acetamide;N-tert-Butylacetamide;NSC 131312; |
| Density: | 0.862 g/cm3 |
| Melting Point: | 96-98 °C |
| Boiling Point: | 199.2 °C at 760 mmHg |
| Flash Point: | 102 °C |
| Solubility: | Soluble in water. |
| Safety: | 22-24/25 |
| PSA: | 29.10000 |
| LogP: | 1.31190 |
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Specification
The Acetamide,N-(1,1-dimethylethyl)-, with the CAS registry number 762-84-5, is also known as N-(1,1-Dimethylethyl)acetamide. This chemical's molecular formula is C6H13NO and molecular weight is 115.17. What's more, its systematic name is N-tert-Butylacetamide. It is stable at common pressure and temperature, and it should be sealed and stored in containers which are placed in cool and dry places. In addition, it should be protected from oxides. When using it, you can't breathe dust and you need avoid contact with skin and eyes.
Physical properties of Acetamide,N-(1,1-dimethylethyl)- are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.78; (8)ACD/KOC (pH 7.4): 29.78; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.414; (14)Molar Refractivity: 33.43 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 13.25×10-24 cm3; (17)Surface Tension: 25.1 dyne/cm; (18)Density: 0.862 g/cm3; (19)Flash Point: 102 °C; (20)Enthalpy of Vaporization: 43.54 kJ/mol; (21)Boiling Point: 199.2 °C at 760 mmHg; (22)Vapour Pressure: 0.345 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid anhydride and tert-butylamine at the ambient temperature. This reaction will need reagent Cu(OTf)2 and solvent CH2Cl2 with the reaction time of 3 hours. The yield is about 92%.
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Uses of Acetamide,N-(1,1-dimethylethyl)-: it can be used to produce ethyl-tert-butyl-amine by heating. It will need reagent LiAlH4 and solvent diethyl ether with the reaction time of 60 hours. The yield is about 40%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(C)(C)C
(2)InChI: InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)
(3)InChIKey: ACYFWRHALJTSCF-UHFFFAOYSA-N