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Acetamide, N-[4-(1,1-dimethylethyl)-2-nitrophenyl]-

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Name

Acetamide, N-[4-(1,1-dimethylethyl)-2-nitrophenyl]-

EINECS 255-023-0
CAS No. 40655-37-6 Density 1.175 g/cm3
PSA 74.92000 LogP 3.44690
Solubility N/A Melting Point N/A
Formula C12H16N2O3 Boiling Point 385.2 °C at 760 mmHg
Molecular Weight 236.271 Flash Point 186.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 40655-37-6 (N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide) Hazard Symbols N/A
Synonyms

Acetanilide,4'-tert-butyl-2'-nitro- (6CI);4'-tert-Butyl-2'-nitroacetanilide;N-[4-(1,1-Dimethylethyl)-2-nitrophenyl]acetamide;NSC 98373;

Article Data 11

Acetamide, N-[4-(1,1-dimethylethyl)-2-nitrophenyl]- Specification

This chemical is called Acetamide, N-[4-(1,1-dimethylethyl)-2-nitrophenyl]-, and its systematic name is N-(4-tert-butyl-2-nitrophenyl)acetamide. With the molecular formula of C12H16N2O3, its molecular weight is 236.27. The CAS registry number of this chemical is 40655-37-6.

Other characteristics of the Acetamide, N-[4-(1,1-dimethylethyl)-2-nitrophenyl]- can be summarised as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.03; (6)ACD/BCF (pH 7.4): 65.03; (7)ACD/KOC (pH 5.5): 690.95; (8)ACD/KOC (pH 7.4): 690.95; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 65.45 cm3; (15)Molar Volume: 201 cm3; (16)Polarizability: 25.94×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 186.8 °C; (20)Enthalpy of Vaporization: 63.4 kJ/mol; (21)Boiling Point: 385.2 °C at 760 mmHg; (22)Vapour Pressure: 3.87E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1c(ccc(c1)C(C)(C)C)NC(=O)C
2.InChI: InChI=1/C12H16N2O3/c1-8(15)13-10-6-5-9(12(2,3)4)7-11(10)14(16)17/h5-7H,1-4H3,(H,13,15)
3.InChIKey: ZKEOXGOYGVYZJN-UHFFFAOYAZ

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