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| CAS No.: | 52980-20-8 |
|---|---|
| Name: | 4,4'-(1,3-Propanediyl)dioxydianiline |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C15H18N2O2 |
| Molecular Weight: | 258.32 |
| Synonyms: | 4,4-(1,3-Propanediyl)dioxydianiline;4,4-(1,3-PROPANEDIYL)DIOXYDIANILINE ,98%;1,3-Bis(4-aminophenoxy)propane;4-[3-(4-Aminophenoxy)propoxy]aniline, 4,4-[Propane-1,3-diylbis(oxy)]dianiline |
| Density: | 1.177 g/cm3 |
| Melting Point: | 108-109 °C |
| Boiling Point: | 466.4 °C at 760 mmHg |
| Flash Point: | 259.7 °C |
| PSA: | 70.50000 |
| LogP: | 3.86130 |
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- Total:14 Page 1 of 1 1
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Specification
The 4,4'-(1,3-Propanediyl)dioxydianiline, with the CAS registry number 52980-20-8, is also known as Benzenamine, 4-[3-(4-aminophenoxy)propoxy]-. Its molecular formula is C15H18N2O2 and its molecular weight is 258.31562. Additionally, its product categories are Amines; Phenyls & Phenyl-Het.
Other characteristics of the 4,4'-(1,3-Propanediyl)dioxydianiline can be summarised as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 7.76; (7)ACD/KOC (pH 5.5): 70.45; (8)ACD/KOC (pH 7.4): 150.32; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 24.94 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 76.91 cm3; (15)Molar Volume: 219.4 cm3; (16)Polarizability: 30.49×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.177 g/cm3; (19)Flash Point: 259.7 °C; (20)Enthalpy of Vaporization: 72.81 kJ/mol; (21)Boiling Point: 466.4 °C at 760 mmHg; (22)Vapour Pressure: 7.13E-09 mmHg at 25°C.
Production method of the 4,4'-(1,3-Propanediyl)dioxydianiline: It could be obtained by the reactant of 1,3-bis-(4-nitro-phenoxy)-propane. This reaction needs the reagent of H2, and the catalyst of Pd/C. The yield is 74 %.
dioxydianiline.jpg)
Uses of the 4,4'-(1,3-Propanediyl)dioxydianiline: It could react with thiourea to obtain the 1,3-di(thiourea-4-phenoxy)propane. This reaction needs the heating and its yield is 58 %.
dioxydianiline could react with thiourea.jpg)
propane.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(cc1)N)CCCOc2ccc(N)cc2
2.InChI: InChI=1/C15H18N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11,16-17H2
3.InChIKey: KWFFEQXPFFDJER-UHFFFAOYAE