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CAS No.: | 115256-13-8 |
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Name: | N-Methyl-N-(2-(4-aminophenoxy)ethyl)-2-(4-aminophenyl)ehtanamine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C17H23N3O |
Molecular Weight: | 285.389 |
Synonyms: | [2-(4-Aminophenyl)ethyl][2-(4-aminophenoxy)ethyl]methylamine;4-Amino-n-[2-(4-aminophenoxy)ethyl]-n-methylphenylethylamine; |
Density: | 1.133 g/cm3 |
Melting Point: | 121 °C |
Boiling Point: | 488.334 °C at 760 mmHg |
Flash Point: | 249.135 °C |
PSA: | 64.51000 |
LogP: | 3.56670 |
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The N-Methyl-N-(2-(4-aminophenoxy)ethyl)-2-(4-aminophenyl)ethanamine with CAS registry number of 115256-13-8 is also known as 4-Amino-n-[2-(4-aminophenoxy)ethyl]-n-methylphenylethylamine. The systematic name is 4-(2-{[2-(4-Aminophenoxy)ethyl](methyl)amino}ethyl)aniline. It belongs to product categories of API intermediates. In addition, the formula is C17H23N3O and the molecular weight is 285.38.
Physical properties about N-Methyl-N-(2-(4-aminophenoxy)ethyl)-2-(4-aminophenyl)ethanamine are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.43; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 64.51Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 88.14 cm3; (14)Molar Volume: 251.9 cm3; (15)Polarizability: 34.94×10-24cm3; (16)Surface Tension: 50.7 dyne/cm; (17)Density: 1.132 g/cm3; (18)Flash Point: 249.1 °C; (19)Enthalpy of Vaporization: 75.44 kJ/mol; (20)Boiling Point: 488.3 °C at 760 mmHg; (21)Vapour Pressure: 1.1E-09 mmHg at 25 °C
You can still convert the following datas into molecular structure:
1. SMILES: Nc1ccc(cc1)CCN(C)CCOc2ccc(N)cc2
2. InChI: InChI=1/C17H23N3O/c1-20(11-10-14-2-4-15(18)5-3-14)12-13-21-17-8-6-16(19)7-9-17/h2-9H,10-13,18-19H2,1H3
3. InChIKey: QZYRUZJJDBUKII-UHFFFAOYAK