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CAS No.: | 25926-14-1 |
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Name: | Phenol, 4,4',4''-nitrilotris- |
Molecular Structure: | |
Formula: | C18H15NO3 |
Molecular Weight: | 293.32 |
Synonyms: | Tris(4-hydroxyphenyl)amine;4,4',4''-Trihydroxytriphenylamine;Phenol, 4,4',4''-nitrilotri- (8CI);4,4',4''-Nitrilotriphenol; |
Density: | 1.358 g/cm3 |
Boiling Point: | 547.7 °C at 760 mmHg |
Flash Point: | 325.5 °C |
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The Phenol, 4,4',4''-nitrilotris-, with the CAS registry number 25926-14-1, is also known as 4,4',4''-Trihydroxytriphenylamine. This chemical's molecular formula is C18H15NO3 and molecular weight is 293.32. What's more, its systematic name is 4,4',4''-Nitrilotriphenol.
Physical properties of Phenol, 4,4',4''-nitrilotris- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 177.13; (6)ACD/BCF (pH 7.4): 174.58; (7)ACD/KOC (pH 5.5): 1415.52; (8)ACD/KOC (pH 7.4): 1395.1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 63.93 Å2; (13)Index of Refraction: 1.725; (14)Molar Refractivity: 85.74 cm3; (15)Molar Volume: 215.8 cm3; (16)Polarizability: 33.99×10-24 cm3; (17)Surface Tension: 69.4 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 325.5 °C; (20)Enthalpy of Vaporization: 85.8 kJ/mol; (21)Boiling Point: 547.7 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)N(c2ccc(O)cc2)c3ccc(O)cc3
(2)InChI: InChI=1/C18H15NO3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-22H
(3)InChIKey: HUPXQMGQXGDRNA-UHFFFAOYSA-N