CAS No.14227-17-9,2,4,6-TRIMETHOXYANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14227-17-9
Name:	2,4,6-TRIMETHOXYANILINE
Article Data:	19

Formula:	C₉H₁₃NO₃
Molecular Weight:	183.207
Synonyms:	Aniline,2,4,6-trimethoxy- (6CI,8CI);2,4,6-Trimethoxyaniline;2,4,6-Trimethoxybenzenamine;2,4,6-Tris(methyloxy)aniline;
EINECS:	238-095-8
Density:	1.118 g/cm³
Melting Point:	29-31 °C
Boiling Point:	306.9 °C at 760 mmHg
Flash Point:	152.5 °C
PSA:	53.71000
LogP:	1.87580

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Specification

This chemical is called 2,4,6-Trimethoxyaniline, and its CAS registry number is 14227-17-9. With the molecular formula of C₉H₁₃NO₃, its molecular weight is 183.20. Additionally, its product categories are Anilines, Aromatic Amines and Nitro Compounds.

Other characteristics of the 2,4,6-Trimethoxyaniline can be summarised as followings: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.99; (7)ACD/KOC (pH 5.5): 41.4; (8)ACD/KOC (pH 7.4): 56.8; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 30.93 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 50.52 cm³; (15)Molar Volume: 163.7 cm³; (16)Polarizability: 20.02×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.118 g/cm³; (19)Flash Point: 152.5 °C; (20)Enthalpy of Vaporization: 54.74 kJ/mol; (21)Boiling Point: 306.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000751 mmHg at 25°C.

Production method of this chemical: The 2,4,6-Trimethoxyaniline could be obtained by the reactant of 1,3,5-trimethoxy-2-nitro-benzene. This reaction needs the reagent of H₂, and the catalyst of Raney-nickel. The yield is 75 %.

Uses of this chemical: The 2,4,6-Trimethoxyaniline could react with octadecanoyl chloride, and obtain the N-(2,4,6-trimethoxyphenyl)stearamide. This reaction needs the reagent of Et₃N, and the solvent of ethyl acetate. The yield is 66 %. In addition, this reaction should be taken at the ambient temperature.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1cc(OC)cc(OC)c1N)C
2.InChI: InChI=1/C9H13NO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,10H2,1-3H3
3.InChIKey: FNSAKXLEFPFZOM-UHFFFAOYAB