CAS No.115287-37-1,N-Methyl-N-(2-(4-nitrophenoxy)ethyl)-2-(4-nitrophenyl)ethanamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	115287-37-1
Name:	N-Methyl-N-(2-(4-nitrophenoxy)ethyl)-2-(4-nitrophenyl)ethanamine
Article Data:	2

Formula:	C₁₇H₁₉N₃O₅
Molecular Weight:	345.355
Synonyms:	N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine;Methyl-(4-nitrophenylethyl)-(4-nitrophenoxyethyl)amine;Methyl[2-(4-nitrophenyl)ethyl][2-(4-nitrophenoxy)ethyl]amine;N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]phenylethylamine;N-Methyl-n-(2-(4-nitrophenoxy)ethyl)-2-(4-nitrophenyl)ethanamine;
Density:	1.273 g/cm³
Melting Point:	70.0 to 74.0 °C
Boiling Point:	513.2 °C at 760 mmHg
Flash Point:	264.1 °C
Appearance:	brown solid
PSA:	104.11000
LogP:	4.10270

Synthetic route

: 3383-72-0
1-(2-chloroethoxy)-4-nitrobenzene

: 85176-37-0
N-methyl-N-[2-(4-nitro-phenyl)-ethyl]-amine

: 115287-37-1
1-(4-nitrophenoxy)-2-ethane

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In acetonitrile for 72h; Heating;	64%
With sodium iodide; potassium carbonate In acetonitrile

: 115287-37-1
1-(4-nitrophenoxy)-2-ethane

: 115256-13-8
1-(4-aminophenoxy)-2-[N-(4-aminophenethyl)-N-methylamino]ethane

Conditions

Conditions	Yield
With palladium 10% on activated carbon In acetic acid butyl ester; ethyl acetate at 6℃; under 2250.23 Torr; for 60h; Solvent; Temperature; Pressure;	93.7%
With hydrogen; nickel In ethanol under 2280 Torr; for 16h; Ambient temperature;	72%
aluminum nickel In ethanol

: 115287-37-1
1-(4-nitrophenoxy)-2-ethane

: 115256-11-6
dofetilide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 72 percent / H2 / Raney nickel / ethanol / 16 h / 2280 Torr / Ambient temperature 2: 51 percent / CH2Cl2 / Ambient temperature View Scheme

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Specification

The N-Methyl-N-(2-(4-nitrophenoxy)ethyl)-2-(4-nitrophenyl)ethanamine with CAS registry number of 115287-37-1 is also known as Methyl-(4-nitrophenylethyl)-(4-nitrophenoxyethyl)amine. The systematic name is N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine. It belongs to product categories of Chemical Amines; Amines; Aromatics. In addition, the formula is C₁₇H₁₉N₃O₅ and the molecular weight is 345.35. This chemical is a brown solid.

Physical properties about N-Methyl-N-(2-(4-nitrophenoxy)ethyl)-2-(4-nitrophenyl)ethanamine are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 3.28; (6)ACD/BCF (pH 7.4): 146.2; (7)ACD/KOC (pH 5.5): 21.15; (8)ACD/KOC (pH 7.4): 943.42; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 104.11Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 92.76 cm³; (15)Molar Volume: 271.1 cm³; (16)Polarizability: 36.77×10^-24cm³; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.273 g/cm³; (19)Flash Point: 264.1 °C; (20)Enthalpy of Vaporization: 78.45 kJ/mol; (21)Boiling Point: 513.2 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-10 mmHg at 25 °C

You can still convert the following datas into molecular structure:
1. SMILES: O=N(=O)c1ccc(cc1)CCN(C)CCOc2ccc(cc2)N(=O)=O
2. InChI: InChI=1/C17H19N3O5/c1-18(11-10-14-2-4-15(5-3-14)19(21)22)12-13-25-17-8-6-16(7-9-17)20(23)24/h2-9H,10-13H2,1H3
3. InChIKey: BDCVRCLAXLOSLH-UHFFFAOYAS
4. Std. InChI: InChI=1S/C17H19N3O5/c1-18(11-10-14-2-4-15(5-3-14)19(21)22)12-13-25-17-8-6-16(7-9-17)20(23)24/h2-9H,10-13H2,1H3
5. Std. InChIKey: BDCVRCLAXLOSLH-UHFFFAOYSA-N