CAS No.141854-25-3,1,2-Diphenyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]butane-1,4-diol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141854-25-3
Name:	1,2-Diphenyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]butane-1,4-diol
Article Data:	3

Formula:	C₂₆H₃₁NO₃
Molecular Weight:	405.537
Synonyms:	1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1,2-diphenyl-1,4-butanediol;
Density:	1.138 g/cm³
Boiling Point:	569.708 °C at 760 mmHg
Flash Point:	298.349 °C
PSA:	52.93000
LogP:	4.02910

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Specification

The 1,2-Diphenyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]butane-1,4-diol, with the CAS registry number 141854-25-3, is also known as 1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1,2-diphenyl-1,4-butanediol. This chemical's molecular formula is C₂₆H₃₁NO₃ and formula weight is 405.53. What's more, its systematic name is called 1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1,2-diphenylbutane-1,4-diol.

Physical properties about this chemical are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 6; (8)ACD/KOC (pH 7.4): 203; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 52.93 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 120.896 cm³; (15)Molar Volume: 356.45 cm³; (16)Surface Tension: 47.45 dyne/cm; (17)Density: 1.138 g/cm³; (18)Flash Point: 298.349 °C; (19)Enthalpy of Vaporization: 89.913 kJ/mol; (20)Boiling Point: 569.708 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)C(O)(c2ccccc2)C(c3ccccc3)CCO)CCN(C)C
(2)InChI: InChI=1/C26H31NO3/c1-27(2)18-20-30-24-15-13-23(14-16-24)26(29,22-11-7-4-8-12-22)25(17-19-28)21-9-5-3-6-10-21/h3-16,25,28-29H,17-20H2,1-2H3
(3)InChIKey: CILUUGLLYLAHMG-UHFFFAOYAK