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Acetamide,N-(1,1-dimethylethyl)-

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Name

Acetamide,N-(1,1-dimethylethyl)-

EINECS N/A
CAS No. 762-84-5 Density 0.862 g/cm3
PSA 29.10000 LogP 1.31190
Solubility Soluble in water. Melting Point 96-98 °C
Formula C6H13NO Boiling Point 199.2 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 102 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 762-84-5 (N-TERT-BUTYLACETAMIDE) Hazard Symbols N/A
Synonyms

Acetamide,N-tert-butyl- (6CI,7CI,8CI);2-Acetamido-2-methylpropane;N-(1,1-Dimethylethyl)acetamide;N-tert-Butylacetamide;NSC 131312;

Article Data 167

Acetamide,N-(1,1-dimethylethyl)- 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%.

Acetamide,N-(1,1-dimethylethyl)- can be prepared by acetic acid anhydride and tert-butylamine at the ambient temperature

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%.

Acetamide,N-(1,1-dimethylethyl)- can be used to produce ethyl-tert-butyl-amine by heating

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

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