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N-(4-Nitrophenethyl)acetamide

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Name

N-(4-Nitrophenethyl)acetamide

EINECS N/A
CAS No. 6270-07-1 Density 1.203 g/cm3
PSA 74.92000 LogP 2.18750
Solubility N/A Melting Point 140 °C
Formula C10H12N2O3 Boiling Point 451.4 °C at 760 mmHg
Molecular Weight 208.217 Flash Point 226.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R11; R68; R10
Molecular Structure Molecular Structure of 6270-07-1 (N-ACETYL-2-(4-NITROPHENYL)ETHYLAMINE) Hazard Symbols F,Xi,Xn
Synonyms

NSC 33833;NSC 59178;N-(4-Nitrophenylethyl)acetamide;

Article Data 6

N-(4-Nitrophenethyl)acetamide Specification

The Acetamide, N-[2-(4-nitrophenyl)ethyl]-, with the CAS registry number of 6270-07-1, is also known as N-Acetyl-4-nitrophenethylamine and N-(2-(p-Nitrophenyl)ethyl)acetamide. This chemical's molecular formula is C10H12N2O3 and molecular weight is 208.21. What's more, its IUPAC name is N-[2-(4-Nitrophenyl)ethyl]acetamide.

Physical properties about Acetamide, N-[2-(4-nitrophenyl)ethyl]- are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.62; (6)ACD/BCF (pH 7.4): 2.62; (7)ACD/KOC (pH 5.5): 69.34; (8)ACD/KOC (pH 7.4): 69.34; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 55.23 cm3; (15)Molar Volume: 173 cm3; (16)Polarizability: 21.89×10-24 cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 226.8 °C; (20)Enthalpy of Vaporization: 71.05 kJ/mol; (21)Boiling Point: 451.4 °C at 760 mmHg; (22)Melting Point: 140 °C; (23)Vapour Pressure: 2.43E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)CCNC(=O)C
(2) InChI: InChI=1/C10H12N2O3/c1-8(13)11-7-6-9-2-4-10(5-3-9)12(14)15/h2-5H,6-7H2,1H3,(H,11,13)
(3) InChIKey: DIRUSBMKFDPKDI-UHFFFAOYAK

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