CAS No.6270-07-1,N-ACETYL-2-(4-NITROPHENYL)ETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6270-07-1
Name:	N-ACETYL-2-(4-NITROPHENYL)ETHYLAMINE
Article Data:	6

Formula:	C₁₀H₁₂N₂O₃
Molecular Weight:	208.217
Synonyms:	NSC 33833;NSC 59178;N-(4-Nitrophenylethyl)acetamide;
Density:	1.203 g/cm³
Melting Point:	140 °C
Boiling Point:	451.4 °C at 760 mmHg
Flash Point:	226.8 °C
Hazard Symbols:	F,Xi,Xn
Risk Codes:	R11; R68; R10
PSA:	74.92000
LogP:	2.18750

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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