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CAS No.: | 344443-16-9 |
---|---|
Name: | N-(2-Aminoethyl)-2-(2,6-dichlorophenoxy)propanamide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H14Cl2N2O2 |
Molecular Weight: | 277.15 |
Synonyms: | PRO035; Propanamide, N-(2-aminoethyl)-2-(2,6-dichlorophenoxy)- |
Density: | 1.299 g/cm3 |
Boiling Point: | 471.1 °C at 760 mmHg |
Flash Point: | 238.7 °C |
PSA: | 67.84000 |
LogP: | 3.37620 |
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The N-(2-Aminoethyl)-2-(2,6-dichlorophenoxy)propanamide has CAS registry number 344443-16-9. This chemical's molecular formula is C11H14Cl2N2O2 and molecular weight is 277.15. What's more, its systematic name is N-(2-aminoethyl)-2-(2,6-dichlorophenoxy)propanamide.
Physical properties of N-(2-Aminoethyl)-2-(2,6-dichlorophenoxy)propanamide are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.47; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 23.14; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 64.35 Å2; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 68.37 cm3; (14)Molar Volume: 213.3 cm3; (15)Polarizability: 27.1×10-24cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.299 g/cm3; (18)Flash Point: 238.7 °C; (19)Enthalpy of Vaporization: 73.38 kJ/mol; (20)Boiling Point: 471.1 °C at 760 mmHg; (21)Vapour Pressure: 4.77E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(Cl)c1OC(C)C(=O)NCCN
(2)Std. InChI: InChI=1S/C11H14Cl2N2O2/c1-7(11(16)15-6-5-14)17-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
(3)Std. InChIKey: IYGPXILYSHJRMS-UHFFFAOYSA-N